6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

C22H21ClN4O — CID 112851893

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCCc2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21ClN4O/c23-17-8-4-5-15(13-17)11-12-24-20-14-19(22(28)25-18-9-10-18)26-21(27-20)16-6-2-1-3-7-16/h1-8,13-14,18H,9-12H2,(H,25,28)(H,24,26,27)
InChIKeyLISFYSAWYNVMKL-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.34
Rot. Bonds7

About 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide

6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (PubChem CID 112851893) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
PubChem CID112851893
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(NCCc2cccc(Cl)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21ClN4O/c23-17-8-4-5-15(13-17)11-12-24-20-14-19(22(28)25-18-9-10-18)26-21(27-20)16-6-2-1-3-7-16/h1-8,13-14,18H,9-12H2,(H,25,28)(H,24,26,27)
InChIKeyLISFYSAWYNVMKL-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-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

N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
6-[(4-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851859
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
N-cyclopropyl-2-phenyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 112851864
N-tert-butyl-2-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 112854158
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109298111
6-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopropyl-2-phenylpyrimidine-4,6-diamine
CID 112879476
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322171
N-cyclopentyl-6-[3-(dimethylamino)propylamino]-2-phenylpyrimidine-4-carboxamide
CID 112852847

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide (CID 112851893) is 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is O=C(NC1CC1)c1cc(NCCc2cccc(Cl)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
The InChIKey is LISFYSAWYNVMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-17-8-4-5-15(13-17)11-12-24-20-14-19(22(28)25-18-9-10-18)26-21(27-20)16-6-2-1-3-7-16/h1-8,13-14,18H,9-12H2,(H,25,28)(H,24,26,27).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylamino]-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112851893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).