6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide

C19H17ClN4O2 — CID 109346555

IUPAC6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(20)9-15(17)24-19(25)16-10-18(23-12-22-16)21-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyKHZKHKGIMZLYLM-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

About 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide

6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109346555) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109346555
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(20)9-15(17)24-19(25)16-10-18(23-12-22-16)21-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyKHZKHKGIMZLYLM-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)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

6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
N-(2-methoxy-5-methylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350218
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109352431
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109352420
N-(4-chloro-2-methylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349100

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide (CID 109346555) is 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is KHZKHKGIMZLYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(20)9-15(17)24-19(25)16-10-18(23-12-22-16)21-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).