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

C21H22N4O — CID 109356752

IUPAC6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(C)cc2C)ncn1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-4-25(17-8-6-5-7-9-17)21(26)19-13-20(23-14-22-19)24-18-11-10-15(2)12-16(18)3/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyXRZZEQMUSCLQNV-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

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

6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109356752) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109356752
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2ccc(C)cc2C)ncn1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-4-25(17-8-6-5-7-9-17)21(26)19-13-20(23-14-22-19)24-18-11-10-15(2)12-16(18)3/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyXRZZEQMUSCLQNV-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508
6-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357483
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(3,4-dimethoxyanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109357478
5-(4-chloro-2-methylanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291721
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323
6-(2,4-dimethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355977
N-ethyl-N-(3-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347136
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide (CID 109356752) is 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(Nc2ccc(C)cc2C)ncn1)c1ccccc1.
What is the InChIKey of 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is XRZZEQMUSCLQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(17-8-6-5-7-9-17)21(26)19-13-20(23-14-22-19)24-18-11-10-15(2)12-16(18)3/h5-14H,4H2,1-3H3,(H,22,23,24).
What are the key properties of 6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide?
6-(2,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.50, 5 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-ethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109356752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).