N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide

C21H22N4O — CID 109305166

IUPACN-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)c1C
InChIInChI=1S/C21H22N4O/c1-15-8-7-11-18(16(15)2)23-21-22-13-12-19(24-21)20(26)25(3)14-17-9-5-4-6-10-17/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyWPGNXUQBSBHIAO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.11
Rot. Bonds5

About N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide

N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109305166) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109305166
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)c1C
InChIInChI=1S/C21H22N4O/c1-15-8-7-11-18(16(15)2)23-21-22-13-12-19(24-21)20(26)25(3)14-17-9-5-4-6-10-17/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyWPGNXUQBSBHIAO-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

N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
N-benzyl-5-(2,3-dimethylanilino)-N-methylpyridine-2-carboxamide
CID 109189147
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
ethyl 4-[[4-[benzyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109305222
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
N-tert-butyl-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109311332
N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
CID 109305113
N-benzyl-2-(5-chloro-2-methylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109306840
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide (CID 109305166) is N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)N(C)Cc3ccccc3)n2)c1C.
What is the InChIKey of N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is WPGNXUQBSBHIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-8-7-11-18(16(15)2)23-21-22-13-12-19(24-21)20(26)25(3)14-17-9-5-4-6-10-17/h4-13H,14H2,1-3H3,(H,22,23,24).
What are the key properties of N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
N-benzyl-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide 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-2-(2,3-dimethylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).