N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide

C21H26N4O — CID 112852793

IUPACN-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H26N4O/c26-21(23-17-12-6-7-13-17)18-14-19(22-16-10-4-5-11-16)25-20(24-18)15-8-2-1-3-9-15/h1-3,8-9,14,16-17H,4-7,10-13H2,(H,23,26)(H,22,24,25)
InChIKeyHZUSHLSRGKRKKP-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.17
Rot. Bonds5

About N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide

N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112852793) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112852793
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H26N4O/c26-21(23-17-12-6-7-13-17)18-14-19(22-16-10-4-5-11-16)25-20(24-18)15-8-2-1-3-9-15/h1-3,8-9,14,16-17H,4-7,10-13H2,(H,23,26)(H,22,24,25)
InChIKeyHZUSHLSRGKRKKP-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-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

6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-(tert-butylamino)-N-cyclohexyl-2-phenylpyrimidine-4-carboxamide
CID 112853019
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852816
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 112852804
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
6-(2-cyanoanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851948

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide (CID 112852793) is N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is HZUSHLSRGKRKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(23-17-12-6-7-13-17)18-14-19(22-16-10-4-5-11-16)25-20(24-18)15-8-2-1-3-9-15/h1-3,8-9,14,16-17H,4-7,10-13H2,(H,23,26)(H,22,24,25).
What are the key properties of N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide?
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).