6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide

C21H21ClN4O2 — CID 109369995

IUPAC6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C21H21ClN4O2/c1-13-8-9-19(28-3)17(10-13)26-21(27)18-11-20(25-14(2)24-18)23-12-15-6-4-5-7-16(15)22/h4-11H,12H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyKSNTZOHYNIYDMS-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.62
Rot. Bonds6

About 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide

6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109369995) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109369995
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(NCc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C21H21ClN4O2/c1-13-8-9-19(28-3)17(10-13)26-21(27)18-11-20(25-14(2)24-18)23-12-15-6-4-5-7-16(15)22/h4-11H,12H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyKSNTZOHYNIYDMS-UHFFFAOYSA-N
XLogP4.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370258
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109156807
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109348556
6-(2,4-dimethylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848847
N-[(2-methoxyphenyl)methyl]-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370200
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
6-[(2-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119698
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide (CID 109369995) is 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(NCc2ccccc2Cl)nc(C)n1.
What is the InChIKey of 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is KSNTZOHYNIYDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-13-8-9-19(28-3)17(10-13)26-21(27)18-11-20(25-14(2)24-18)23-12-15-6-4-5-7-16(15)22/h4-11H,12H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide?
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109369995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).