2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide

C21H22N4O — CID 109335301

IUPAC2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O/c1-14-9-8-12-18(16(14)3)23-21-22-15(2)13-19(24-21)20(26)25(4)17-10-6-5-7-11-17/h5-13H,1-4H3,(H,22,23,24)
InChIKeyWWVXGVZPFMILSI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.42
Rot. Bonds4

About 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide

2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109335301) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109335301
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H22N4O/c1-14-9-8-12-18(16(14)3)23-21-22-15(2)13-19(24-21)20(26)25(4)17-10-6-5-7-11-17/h5-13H,1-4H3,(H,22,23,24)
InChIKeyWWVXGVZPFMILSI-UHFFFAOYSA-N
XLogP4.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335319
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266
4-(2,3-dimethylanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109219346
[2-(2,3-dimethylanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325929
N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326479
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
6-N-methyl-2-N-(2-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100039
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330141
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109335301) is 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)c2ccccc2)nc(Nc2cccc(C)c2C)n1.
What is the InChIKey of 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is WWVXGVZPFMILSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-9-8-12-18(16(14)3)23-21-22-15(2)13-19(24-21)20(26)25(4)17-10-6-5-7-11-17/h5-13H,1-4H3,(H,22,23,24).
What are the key properties of 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide?
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).