6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

C20H20N4O — CID 109356432

IUPAC6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C20H20N4O/c1-14-9-10-17(15(2)11-14)23-19-12-18(21-13-22-19)20(25)24(3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,22,23)
InChIKeyHUQUHAZCLAKKDZ-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.11
Rot. Bonds4

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

6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109356432) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109356432
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)c(C)c1
InChIInChI=1S/C20H20N4O/c1-14-9-10-17(15(2)11-14)23-19-12-18(21-13-22-19)20(25)24(3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,22,23)
InChIKeyHUQUHAZCLAKKDZ-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508
6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109356752
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356459
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109347313
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109356472
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
[6-(2,4-dimethylanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341708

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109356432) is 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is HUQUHAZCLAKKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-9-10-17(15(2)11-14)23-19-12-18(21-13-22-19)20(25)24(3)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,21,22,23).
What are the key properties of 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109356432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).