NNF

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one

Created:	2010-09-30
Last modified:	2011-06-04

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1 entries where NNF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of NNF

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Chemical Component Summary
Name	2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
Systematic Name (OpenEye OEToolkits)	2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
Formula	C₁₅ H₁₇ F N₄ O
Molecular Weight	288.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3
SMILES	CACTVS	3.370	CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3
SMILES	OpenEye OEToolkits	1.7.0	CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F
Canonical SMILES	CACTVS	3.370	CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F
InChI	InChI	1.03	InChI=1S/C15H17FN4O/c1-11-10-14(21)18-15(17-11)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKey	InChI	1.03	AGOINTKVGRVJJT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3163548, 135417602

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