2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

C19H24N4O — CID 109322002

IUPAC2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C)nc(NC3CCCC3)n2)c1
InChIInChI=1S/C19H24N4O/c1-12-8-13(2)10-16(9-12)21-18(24)17-11-14(3)20-19(23-17)22-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyTXQOXOBUOCJODD-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.01
Rot. Bonds4

About 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322002) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109322002
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(C)nc(NC3CCCC3)n2)c1
InChIInChI=1S/C19H24N4O/c1-12-8-13(2)10-16(9-12)21-18(24)17-11-14(3)20-19(23-17)22-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeyTXQOXOBUOCJODD-UHFFFAOYSA-N
XLogP4.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109322751
N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332882
N-tert-butyl-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332725
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109182436
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109322002) is 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(C)nc(NC3CCCC3)n2)c1.
What is the InChIKey of 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is TXQOXOBUOCJODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-8-13(2)10-16(9-12)21-18(24)17-11-14(3)20-19(23-17)22-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).