2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

C18H22N4O — CID 109297937

IUPAC2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H22N4O/c1-12-6-5-7-13(2)16(12)22-17(23)15-10-11-19-18(21-15)20-14-8-3-4-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyRLALFXIKKUIYNY-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.70
Rot. Bonds4

About 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109297937) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109297937
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C18H22N4O/c1-12-6-5-7-13(2)16(12)22-17(23)15-10-11-19-18(21-15)20-14-8-3-4-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyRLALFXIKKUIYNY-UHFFFAOYSA-N
XLogP3.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
6-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095019
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298020
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
N-(3-acetylphenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298721
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide (CID 109297937) is 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is Cc1cccc(C)c1NC(=O)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RLALFXIKKUIYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-12-6-5-7-13(2)16(12)22-17(23)15-10-11-19-18(21-15)20-14-8-3-4-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109297937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).