2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

C22H24N4O — CID 109314893

IUPAC2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2cc(C)ccc2C)n1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-5-26(18-8-6-7-15(2)13-18)21(27)19-11-12-23-22(24-19)25-20-14-16(3)9-10-17(20)4/h6-14H,5H2,1-4H3,(H,23,24,25)
InChIKeyQSBDKXXHNJIHRB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.81
Rot. Bonds5

About 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314893) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109314893
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2cc(C)ccc2C)n1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-5-26(18-8-6-7-15(2)13-18)21(27)19-11-12-23-22(24-19)25-20-14-16(3)9-10-17(20)4/h6-14H,5H2,1-4H3,(H,23,24,25)
InChIKeyQSBDKXXHNJIHRB-UHFFFAOYSA-N
XLogP4.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109299782
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
4-N-(2,5-dimethylphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091824
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
2-N-(2,5-dimethylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112902549
2-(2,3-dimethylanilino)-N-ethyl-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336124

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109314893) is 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(Nc2cc(C)ccc2C)n1)c1cccc(C)c1.
What is the InChIKey of 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QSBDKXXHNJIHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-5-26(18-8-6-7-15(2)13-18)21(27)19-11-12-23-22(24-19)25-20-14-16(3)9-10-17(20)4/h6-14H,5H2,1-4H3,(H,23,24,25).
What are the key properties of 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).