N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide

C18H14Cl2N4O — CID 109257535

IUPACN-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-2-1-5-12(14)9-21-18-22-10-13(11-23-18)17(25)24-16-8-4-3-7-15(16)20/h1-8,10-11H,9H2,(H,24,25)(H,21,22,23)
InChIKeyOFZBVZCTKOIJIW-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide

N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109257535) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109257535
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C18H14Cl2N4O/c19-14-6-2-1-5-12(14)9-21-18-22-10-13(11-23-18)17(25)24-16-8-4-3-7-15(16)20/h1-8,10-11H,9H2,(H,24,25)(H,21,22,23)
InChIKeyOFZBVZCTKOIJIW-UHFFFAOYSA-N
XLogP4.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]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

2-(benzylamino)-N-(2-chlorophenyl)pyrimidine-5-carboxamide
CID 109255455
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
N-(2-chlorophenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256282
N-(2-chlorophenyl)-6-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155684
N-butan-2-yl-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109248845
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109156789
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
N-(2-chlorophenyl)-2-(3,5-dichloroanilino)pyrimidine-5-carboxamide
CID 109268637
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide (CID 109257535) is N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide is O=C(Nc1ccccc1Cl)c1cnc(NCc2ccccc2Cl)nc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is OFZBVZCTKOIJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-14-6-2-1-5-12(14)9-21-18-22-10-13(11-23-18)17(25)24-16-8-4-3-7-15(16)20/h1-8,10-11H,9H2,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide?
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).