9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide

C16H16FN5O2 — CID 5310314

IUPAC9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
SMILESCC(C)Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C16H16FN5O2/c1-8(2)7-11-19-12(14(18)23)13-15(20-11)22(16(24)21-13)10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H2,18,23)(H,21,24)
InChIKeyFQRMJCXTBDCXQZ-UHFFFAOYSA-N
MW329.34 g/mol
LogP1.55
Rot. Bonds4

About 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide

9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 5310314) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID5310314
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide
SMILESCC(C)Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C16H16FN5O2/c1-8(2)7-11-19-12(14(18)23)13-15(20-11)22(16(24)21-13)10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H2,18,23)(H,21,24)
InChIKeyFQRMJCXTBDCXQZ-UHFFFAOYSA-N
XLogP1.55
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-2,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-imidazole-4-carboxamide
CID 71580330
2-ethyl-9-(2-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7599528
N-[4-[7-(3-fluorophenyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 52920521
2-isobutyl-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 3243471
2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310029
2,5-dimethyl-N-(6-methylpyridin-2-yl)-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 71580334
1-(4-fluorophenyl)-N-(6-fluoro-2-pyridinyl)-2,5-dimethylimidazole-4-carboxamide
CID 71580443
N-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
CID 71717116
N-(6-cyano-2-pyridinyl)-1-(4-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide
CID 71717735
1-(4-fluorophenyl)-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-2-yl]imidazole-4-carboxamide
CID 71720798
7-N-(3,4-difluorophenyl)-3-(trifluoromethyl)-1-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxamide
CID 166629469
2-isopropyl-9-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 20960078

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide (CID 5310314) is 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide is CC(C)Cc1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is FQRMJCXTBDCXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-8(2)7-11-19-12(14(18)23)13-15(20-11)22(16(24)21-13)10-5-3-9(17)4-6-10/h3-6,8H,7H2,1-2H3,(H2,18,23)(H,21,24).
What are the key properties of 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide?
9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 5310314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).