2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide

C21H22N4O2 — CID 109256748

IUPAC2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O2/c1-25(15-17-6-4-3-5-7-17)21-23-13-18(14-24-21)20(26)22-12-16-8-10-19(27-2)11-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,22,26)
InChIKeyFHNJSYHFPVJGDY-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.05
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide

2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256748) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256748
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O2/c1-25(15-17-6-4-3-5-7-17)21-23-13-18(14-24-21)20(26)22-12-16-8-10-19(27-2)11-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,22,26)
InChIKeyFHNJSYHFPVJGDY-UHFFFAOYSA-N
XLogP3.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109258023
2-(N-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256126
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
N-[(4-fluorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257175
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304
methyl 2-[[5-[(4-methoxyphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109258060

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 109256748) is 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2cnc(N(C)Cc3ccccc3)nc2)cc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is FHNJSYHFPVJGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(15-17-6-4-3-5-7-17)21-23-13-18(14-24-21)20(26)22-12-16-8-10-19(27-2)11-9-16/h3-11,13-14H,12,15H2,1-2H3,(H,22,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).