9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide

C15H14FN5O2 — CID 7519646

IUPAC9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide
SMILESCC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C15H14FN5O2/c1-7(2)13-18-10(12(17)22)11-14(20-13)21(15(23)19-11)9-6-4-3-5-8(9)16/h3-7H,1-2H3,(H2,17,22)(H,19,23)
InChIKeyITHJWEFTZAQVKB-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.47
Rot. Bonds3

About 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide

9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide (PubChem CID 7519646) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide
PubChem CID7519646
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide
SMILESCC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1
InChIInChI=1S/C15H14FN5O2/c1-7(2)13-18-10(12(17)22)11-14(20-13)21(15(23)19-11)9-6-4-3-5-8(9)16/h3-7H,1-2H3,(H2,17,22)(H,19,23)
InChIKeyITHJWEFTZAQVKB-UHFFFAOYSA-N
XLogP1.47
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599536
9-(2-methoxyphenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxylic acid
CID 130298947
9-(2-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 16822566
2-(2,4-dimethoxyphenyl)-9-(2-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267785
2-(2-chloro-6-fluorophenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960096
2,9-bis(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960109
9-(2,6-difluorophenyl)-8-oxo-2-propyl-7H-purine-6-carboxamide
CID 7599455
2-butyl-9-(2,6-difluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599499
2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide
CID 57474743
2-(2-chlorophenyl)-9-(2,6-difluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599461
3-(2-fluorophenyl)-4-methyl-2-oxo-1H-imidazole-5-carboxamide
CID 175891573
9-(2,3-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599574

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide?
The IUPAC name of 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide (CID 7519646) is 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide is CC(C)c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3F)c2n1.
What is the InChIKey of 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide?
The InChIKey is ITHJWEFTZAQVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c1-7(2)13-18-10(12(17)22)11-14(20-13)21(15(23)19-11)9-6-4-3-5-8(9)16/h3-7H,1-2H3,(H2,17,22)(H,19,23).
What are the key properties of 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide?
9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide has a molecular weight of 315.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 7519646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).