2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

C16H16Cl2N4O — CID 109298020

IUPAC2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H16Cl2N4O/c17-11-6-3-7-12(14(11)18)21-15(23)13-8-9-19-16(22-13)20-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H,21,23)(H,19,20,22)
InChIKeyQHNYAQHUAWQEES-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.39
Rot. Bonds4

About 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 109298020) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID109298020
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccnc(NC2CCCC2)n1
InChIInChI=1S/C16H16Cl2N4O/c17-11-6-3-7-12(14(11)18)21-15(23)13-8-9-19-16(22-13)20-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H,21,23)(H,19,20,22)
InChIKeyQHNYAQHUAWQEES-UHFFFAOYSA-N
XLogP4.39
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)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

4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
N-(2-tert-butylphenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311458
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-(cyclopentylamino)-N-(3,5-dichlorophenyl)pyrimidine-4-carboxamide
CID 109298018
N-(4-acetamidophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297982
2-(cyclopentylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109298011
5-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrazine-2-carboxamide
CID 109274247
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
N-(4-acetamidophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298724
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (CID 109298020) is 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1ccnc(NC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is QHNYAQHUAWQEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-11-6-3-7-12(14(11)18)21-15(23)13-8-9-19-16(22-13)20-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H,21,23)(H,19,20,22).
What are the key properties of 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-N-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109298020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).