SCX

N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine

Created:	2007-09-20
Last modified:	2011-06-04

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1 entries where SCX is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	23

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Chemical Component Summary
Name	N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)	N-[(2-aminopyrimidin-5-yl)methyl]-5-(2,6-difluorophenyl)-3-ethyl-pyrazolo[5,1-b]pyrimidin-7-amine
Formula	C₁₉ H₁₇ F₂ N₇
Molecular Weight	381.382
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Fc4cccc(F)c4c1nc3c(cnn3c(c1)NCc2cnc(nc2)N)CC
SMILES	CACTVS	3.341	CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F
SMILES	OpenEye OEToolkits	1.5.0	CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F
Canonical SMILES	CACTVS	3.341	CCc1cnn2c(NCc3cnc(N)nc3)cc(nc12)c4c(F)cccc4F
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCc1cnn2c1nc(cc2NCc3cnc(nc3)N)c4c(cccc4F)F
InChI	InChI	1.03	InChI=1S/C19H17F2N7/c1-2-12-10-26-28-16(23-7-11-8-24-19(22)25-9-11)6-15(27-18(12)28)17-13(20)4-3-5-14(17)21/h3-6,8-10,23H,2,7H2,1H3,(H2,22,24,25)
InChIKey	InChI	1.03	HQPVGVSQPQVZLD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08538
Name	N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine
Groups	experimental
Synonyms	N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682