2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide

C15H16ClN5O — CID 58014735

IUPAC2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1NC1CCC1
InChIInChI=1S/C15H16ClN5O/c16-9-4-6-11(7-5-9)20-15-18-8-12(13(17)22)14(21-15)19-10-2-1-3-10/h4-8,10H,1-3H2,(H2,17,22)(H2,18,19,20,21)
InChIKeyKLIJBGIQCPNQBE-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.94
Rot. Bonds5

About 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide

2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide (PubChem CID 58014735) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide
PubChem CID58014735
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1NC1CCC1
InChIInChI=1S/C15H16ClN5O/c16-9-4-6-11(7-5-9)20-15-18-8-12(13(17)22)14(21-15)19-10-2-1-3-10/h4-8,10H,1-3H2,(H2,17,22)(H2,18,19,20,21)
InChIKeyKLIJBGIQCPNQBE-UHFFFAOYSA-N
XLogP2.94
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-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

6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
N-(4-chlorophenyl)-4-methyl-2-(methylthio)pyrimidine-5-carboxamide
CID 20899656
2-(2-Aminoethylamino)-4-(m-tolylamino)pyrimidine-5-carboxamide
CID 9817349
2-(4-chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid N-benzylamide
CID 10024336
2-(3-chlorophenylamino)-4-trifluoromethylpyrimidine-5-carboxylic acid N-(cyclobutylmethyl)amide
CID 10045603
2-(2-Aminoethylamino)-4-(p-tolylamino)pyrimidine-5-carboxamide
CID 12017518
2-(3-Chloro-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid(cyclopropylmethyl)-amide
CID 16720933
2-(2-Aminoethylamino)-4-(phenylamino)pyrimidine-5-carboxamide
CID 22958832
3-[[2-(4-chloroanilino)pyrimidin-4-yl]amino]-4-[[(2R)-3,3-dimethylbutan-2-yl]amino]cyclobut-3-ene-1,2-dione
CID 24864677
(2-(4-Chlorophenylamino)pyrimidin-5-yl)(3-methylpiperidin-1-yl)methanone
CID 46226043
N-[3-[[[5-chloro-2-[4-(diethylamino)butylamino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475753
4-amino-2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 118953907

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide (CID 58014735) is 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide is NC(=O)c1cnc(Nc2ccc(Cl)cc2)nc1NC1CCC1.
What is the InChIKey of 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide?
The InChIKey is KLIJBGIQCPNQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-9-4-6-11(7-5-9)20-15-18-8-12(13(17)22)14(21-15)19-10-2-1-3-10/h4-8,10H,1-3H2,(H2,17,22)(H2,18,19,20,21).
What are the key properties of 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-4-(cyclobutylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 58014735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).