N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide

C21H22N4O — CID 100779100

IUPACN-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1
InChIInChI=1S/C21H22N4O/c1-15-12-16(2)23-21(22-15)24-19-11-7-10-18(13-19)20(26)25(3)14-17-8-5-4-6-9-17/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyIMUWORJGYWTFCQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide

N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide (PubChem CID 100779100) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide
PubChem CID100779100
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide
SMILESCc1cc(C)nc(Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1
InChIInChI=1S/C21H22N4O/c1-15-12-16(2)23-21(22-15)24-19-11-7-10-18(13-19)20(26)25(3)14-17-8-5-4-6-9-17/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyIMUWORJGYWTFCQ-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773
N-benzyl-3-[[2-(tert-butylamino)acetyl]amino]-N-methylbenzamide
CID 54813861
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-benzyl-N-methylbenzamide
CID 54831451
3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54841952
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
N-butyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 99780131

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide?
The IUPAC name of N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide (CID 100779100) is N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide is Cc1cc(C)nc(Nc2cccc(C(=O)N(C)Cc3ccccc3)c2)n1.
What is the InChIKey of N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide?
The InChIKey is IMUWORJGYWTFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-12-16(2)23-21(22-15)24-19-11-7-10-18(13-19)20(26)25(3)14-17-8-5-4-6-9-17/h4-13H,14H2,1-3H3,(H,22,23,24).
What are the key properties of N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide?
N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 100779100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).