N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide

C17H19ClN4O — CID 109341309

IUPACN-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC3CCCC3)ncn2)cc1Cl
InChIInChI=1S/C17H19ClN4O/c1-11-6-7-13(8-14(11)18)22-17(23)15-9-16(20-10-19-15)21-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyGKFXJVUBZVSZQY-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.05
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide (PubChem CID 109341309) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
PubChem CID109341309
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(NC3CCCC3)ncn2)cc1Cl
InChIInChI=1S/C17H19ClN4O/c1-11-6-7-13(8-14(11)18)22-17(23)15-9-16(20-10-19-15)21-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,22,23)(H,19,20,21)
InChIKeyGKFXJVUBZVSZQY-UHFFFAOYSA-N
XLogP4.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341311
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341303
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide (CID 109341309) is N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(NC3CCCC3)ncn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The InChIKey is GKFXJVUBZVSZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-11-6-7-13(8-14(11)18)22-17(23)15-9-16(20-10-19-15)21-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).