N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide

C16H17ClN4O — CID 109341303

IUPACN-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(NC2CCCC2)ncn1
InChIInChI=1S/C16H17ClN4O/c17-12-7-3-4-8-13(12)21-16(22)14-9-15(19-10-18-14)20-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,21,22)(H,18,19,20)
InChIKeyPEQILBHYYDCWEA-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.74
Rot. Bonds4

About N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide

N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide (PubChem CID 109341303) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
PubChem CID109341303
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC NameN-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cc(NC2CCCC2)ncn1
InChIInChI=1S/C16H17ClN4O/c17-12-7-3-4-8-13(12)21-16(22)14-9-15(19-10-18-14)20-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,21,22)(H,18,19,20)
InChIKeyPEQILBHYYDCWEA-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109341925
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341311
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide (CID 109341303) is N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide is O=C(Nc1ccccc1Cl)c1cc(NC2CCCC2)ncn1.
What is the InChIKey of N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The InChIKey is PEQILBHYYDCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-12-7-3-4-8-13(12)21-16(22)14-9-15(19-10-18-14)20-11-5-1-2-6-11/h3-4,7-11H,1-2,5-6H2,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).