6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide

C21H22N4O3 — CID 109368320

IUPAC6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(NCc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C21H22N4O3/c1-14-23-18(12-20(24-14)22-13-15-7-5-4-6-8-15)21(26)25-17-11-16(27-2)9-10-19(17)28-3/h4-12H,13H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyJBPMMCCAJFGPCJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.67
Rot. Bonds7

About 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109368320) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109368320
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(NCc3ccccc3)nc(C)n2)c1
InChIInChI=1S/C21H22N4O3/c1-14-23-18(12-20(24-14)22-13-15-7-5-4-6-8-15)21(26)25-17-11-16(27-2)9-10-19(17)28-3/h4-12H,13H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyJBPMMCCAJFGPCJ-UHFFFAOYSA-N
XLogP3.67
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369822
N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370402
6-N-benzyl-4-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112871595
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
N-(2-methoxy-5-methylphenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370258
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
6-[(2-chlorophenyl)methylamino]-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369995
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
6-(2,5-dimethoxyanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849834

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 109368320) is 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(NCc3ccccc3)nc(C)n2)c1.
What is the InChIKey of 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is JBPMMCCAJFGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-23-18(12-20(24-14)22-13-15-7-5-4-6-8-15)21(26)25-17-11-16(27-2)9-10-19(17)28-3/h4-12H,13H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109368320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).