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

C22H24N4O — CID 109315780

IUPAC2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(N(CC)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-4-17-9-11-18(12-10-17)24-21(27)20-13-14-23-22(25-20)26(5-2)19-8-6-7-16(3)15-19/h6-15H,4-5H2,1-3H3,(H,24,27)
InChIKeyCUNGOLLKRQEHLR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.76
Rot. Bonds6

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

2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315780) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315780
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(N(CC)c3cccc(C)c3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-4-17-9-11-18(12-10-17)24-21(27)20-13-14-23-22(25-20)26(5-2)19-8-6-7-16(3)15-19/h6-15H,4-5H2,1-3H3,(H,24,27)
InChIKeyCUNGOLLKRQEHLR-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109315105
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (CID 109315780) is 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(N(CC)c3cccc(C)c3)n2)cc1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CUNGOLLKRQEHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-17-9-11-18(12-10-17)24-21(27)20-13-14-23-22(25-20)26(5-2)19-8-6-7-16(3)15-19/h6-15H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).