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

C18H18FN5O2 — CID 5310029

IUPAC2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C18H18FN5O2/c19-11-6-8-12(9-7-11)24-17-14(22-18(24)26)13(15(20)25)21-16(23-17)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,20,25)(H,22,26)
InChIKeySTWVVKNEHDSAQF-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.39
Rot. Bonds3

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

2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 5310029) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID5310029
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1
InChIInChI=1S/C18H18FN5O2/c19-11-6-8-12(9-7-11)24-17-14(22-18(24)26)13(15(20)25)21-16(23-17)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,20,25)(H,22,26)
InChIKeySTWVVKNEHDSAQF-UHFFFAOYSA-N
XLogP2.39
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-((1R,2S)-2-Aminocyclohexylamino)-4-(m-tolylamino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one
CID 53251797
4-[4-[2-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-oxoethyl]anilino]-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118341344
2-(2,6-Difluorophenyl)-4-[4-(2-oxopyrrolidin-3-yl)anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118341392
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
N-[4-[1,3-dimethyl-7-(4-methylphenyl)-2,6-dioxopurin-8-yl]phenyl]acetamide
CID 56666516
2-[4-[[2-(2,6-difluorophenyl)-5-oxo-6,7-dihydropyrrolo[3,4-d]pyrimidin-4-yl]amino]phenyl]-N-ethylacetamide
CID 91864575
2-(2,6-Difluorophenyl)-4-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]anilino]-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118341437
2-isobutyl-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 3243471
8-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-3-methyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
CID 3245752
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 5310303

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide (CID 5310029) is 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1.
What is the InChIKey of 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is STWVVKNEHDSAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c19-11-6-8-12(9-7-11)24-17-14(22-18(24)26)13(15(20)25)21-16(23-17)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,20,25)(H,22,26).
What are the key properties of 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide?
2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 5310029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).