N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109313892

IUPACN-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2cccc(C)c2)n1)c1cccc(C)c1
InChIInChI=1S/C21H22N4O/c1-4-25(18-10-6-8-16(3)14-18)20(26)19-11-12-22-21(24-19)23-17-9-5-7-15(2)13-17/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyZAALCLZWGMXKPS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

About N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313892) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313892
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2cccc(C)c2)n1)c1cccc(C)c1
InChIInChI=1S/C21H22N4O/c1-4-25(18-10-6-8-16(3)14-18)20(26)19-11-12-22-21(24-19)23-17-9-5-7-15(2)13-17/h5-14H,4H2,1-3H3,(H,22,23,24)
InChIKeyZAALCLZWGMXKPS-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

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Related Compounds

2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109299782
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
N-benzyl-N-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109305156
2-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109313892) is N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(Nc2cccc(C)c2)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZAALCLZWGMXKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(18-10-6-8-16(3)14-18)20(26)19-11-12-22-21(24-19)23-17-9-5-7-15(2)13-17/h5-14H,4H2,1-3H3,(H,22,23,24).
What are the key properties of N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-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 N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).