6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide

C20H17N7O2 — CID 90672566

IUPAC6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide
SMILESCN(C(=O)Nc1ccccc1)c1ncnc2c1ncn2C(=O)Nc1ccccc1
InChIInChI=1S/C20H17N7O2/c1-26(19(28)24-14-8-4-2-5-9-14)17-16-18(22-12-21-17)27(13-23-16)20(29)25-15-10-6-3-7-11-15/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyQKQMQYDMDNZFAF-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.57
Rot. Bonds3

About 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide

6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide (PubChem CID 90672566) has the molecular formula C20H17N7O2 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide.

Molecular Properties

Compound Name6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide
PubChem CID90672566
Molecular FormulaC20H17N7O2
Molecular Weight387.40 g/mol
Exact Mass387.14
IUPAC Name6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide
SMILESCN(C(=O)Nc1ccccc1)c1ncnc2c1ncn2C(=O)Nc1ccccc1
InChIInChI=1S/C20H17N7O2/c1-26(19(28)24-14-8-4-2-5-9-14)17-16-18(22-12-21-17)27(13-23-16)20(29)25-15-10-6-3-7-11-15/h2-13H,1H3,(H,24,28)(H,25,29)
InChIKeyQKQMQYDMDNZFAF-UHFFFAOYSA-N
XLogP3.57
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(4-chlorophenyl)purine-9-carboxamide
CID 134094128
N-phenylbenzimidazole-1-carboxamide
CID 13125705
methyl 6-(2,2-diphenylethylamino)purine-9-carboxylate
CID 70011748
1-(5-bromo-2-pyridinyl)-1-methyl-3-phenylurea
CID 115268322
1-chloro-1-methyl-3-phenylurea
CID 173170547
2-(9-ethylpurin-6-yl)-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155977098
4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 59633585
1,3-diphenyl-1-quinazolin-4-ylurea
CID 122214993
6-oxo-N-phenylpyrimidine-1-carboxamide
CID 164798852
(9-tritylpurin-6-yl)carbamic acid
CID 118131405
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
1-methyl-1-(4-methyl-1,3-thiazol-2-yl)-3-phenylurea
CID 110748214

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide?
The IUPAC name of 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide (CID 90672566) is 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide.
What is the SMILES notation for 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide?
The canonical SMILES for 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide is CN(C(=O)Nc1ccccc1)c1ncnc2c1ncn2C(=O)Nc1ccccc1.
What is the InChIKey of 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide?
The InChIKey is QKQMQYDMDNZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O2/c1-26(19(28)24-14-8-4-2-5-9-14)17-16-18(22-12-21-17)27(13-23-16)20(29)25-15-10-6-3-7-11-15/h2-13H,1H3,(H,24,28)(H,25,29).
What are the key properties of 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide?
6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(phenylcarbamoyl)amino]-N-phenylpurine-9-carboxamide is sourced from PubChem (CID 90672566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).