2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C23H26N4O — CID 109336124

IUPAC2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2cccc(C)c2C)n1)c1cccc(C)c1
InChIInChI=1S/C23H26N4O/c1-6-27(19-11-7-9-15(2)13-19)22(28)21-14-17(4)24-23(26-21)25-20-12-8-10-16(3)18(20)5/h7-14H,6H2,1-5H3,(H,24,25,26)
InChIKeyXKSKROVLOUGFKE-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.12
Rot. Bonds5

About 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109336124) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109336124
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(Nc2cccc(C)c2C)n1)c1cccc(C)c1
InChIInChI=1S/C23H26N4O/c1-6-27(19-11-7-9-15(2)13-19)22(28)21-14-17(4)24-23(26-21)25-20-12-8-10-16(3)18(20)5/h7-14H,6H2,1-5H3,(H,24,25,26)
InChIKeyXKSKROVLOUGFKE-UHFFFAOYSA-N
XLogP5.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336772
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327446
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327878
2-(cyclopentylamino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109322092
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
N-butan-2-yl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109321464
N-benzyl-2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109327266

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109336124) is 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(Nc2cccc(C)c2C)n1)c1cccc(C)c1.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is XKSKROVLOUGFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-6-27(19-11-7-9-15(2)13-19)22(28)21-14-17(4)24-23(26-21)25-20-12-8-10-16(3)18(20)5/h7-14H,6H2,1-5H3,(H,24,25,26).
What are the key properties of 2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 5.12, 5 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-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109336124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).