2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide

C19H14ClN5O2 — CID 5310303

IUPAC2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1
InChIInChI=1S/C19H14ClN5O2/c1-10-5-4-6-11(9-10)25-18-15(23-19(25)27)14(16(21)26)22-17(24-18)12-7-2-3-8-13(12)20/h2-9H,1H3,(H2,21,26)(H,23,27)
InChIKeyVHMKHPSWWIOTKE-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide

2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 5310303) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID5310303
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1
InChIInChI=1S/C19H14ClN5O2/c1-10-5-4-6-11(9-10)25-18-15(23-19(25)27)14(16(21)26)22-17(24-18)12-7-2-3-8-13(12)20/h2-9H,1H3,(H2,21,26)(H,23,27)
InChIKeyVHMKHPSWWIOTKE-UHFFFAOYSA-N
XLogP2.84
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-(1-methyl-4,5,6,7-tetrahydro-1H-benzo[d]imidazol-2-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 11575984
8-(benzyl(methyl)amino)-7-(2-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione
CID 659405
2-isobutyl-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 3243471
3-Benzyl-8-(2-chloro-5-nitrophenyl)-7-(2-methylpropyl)purine-2,6-dione
CID 3901230
2-cyclohexyl-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310029
Ethyl 2-[6-(aminocarbonyl)-2-(2-chloro-6-fluorophenyl)-9-cyclohexyl-8-oxo-8,9-dihydro-7H-purin-7-YL]acetate
CID 16029264
1-(3-Chloro-phenyl)-3-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-urea
CID 44281700
2-[6-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-[(2-chloro-5-fluorophenyl)methyl]-3-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-1-yl]-N,N-dimethylacetamide;hydrochloride
CID 52943757
6-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-dimethylpyrrolo[3,2-d]pyrimidine-2,4-dione;hydrochloride
CID 52944940
2-isopropyl-9-(4-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 20960078
N-[3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)phenyl]benzamide
CID 57399498
4-(4-Chloroanilino)-2-(2,6-difluorophenyl)-6,7-dihydropyrrolo[3,4-d]pyrimidin-5-one
CID 118341326

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide (CID 5310303) is 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4Cl)nc32)c1.
What is the InChIKey of 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is VHMKHPSWWIOTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-10-5-4-6-11(9-10)25-18-15(23-19(25)27)14(16(21)26)22-17(24-18)12-7-2-3-8-13(12)20/h2-9H,1H3,(H2,21,26)(H,23,27).
What are the key properties of 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide?
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 5310303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).