6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

C21H21ClN4O — CID 109350566

IUPAC6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCCc2cccc(Cl)c2)ncn1
InChIInChI=1S/C21H21ClN4O/c22-18-8-4-7-17(13-18)10-11-23-20-14-19(25-15-26-20)21(27)24-12-9-16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,24,27)(H,23,25,26)
InChIKeyVYECEXYOZGOJJH-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.76
Rot. Bonds8

About 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109350566) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109350566
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCCc2cccc(Cl)c2)ncn1
InChIInChI=1S/C21H21ClN4O/c22-18-8-4-7-17(13-18)10-11-23-20-14-19(25-15-26-20)21(27)24-12-9-16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,24,27)(H,23,25,26)
InChIKeyVYECEXYOZGOJJH-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)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-[2-(3-chlorophenyl)ethyl]-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353519
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350546
6-[2-(4-chlorophenyl)ethylamino]-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109352329
N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348867
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348414
6-[2-(3-chlorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349168
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109355427
N-[2-(3-chlorophenyl)ethyl]-6-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109355479
6-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-4-carboxamide
CID 109338491
6-(2-methylpropylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109340230
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 109350566) is 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1cc(NCCc2cccc(Cl)c2)ncn1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is VYECEXYOZGOJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-18-8-4-7-17(13-18)10-11-23-20-14-19(25-15-26-20)21(27)24-12-9-16-5-2-1-3-6-16/h1-8,13-15H,9-12H2,(H,24,27)(H,23,25,26).
What are the key properties of 6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-[2-(3-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 3.76, 8 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-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).