N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide

C21H22N4O — CID 109315184

IUPACN-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nccc(C(=O)Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H22N4O/c1-4-25(18-8-6-5-7-9-18)21-22-11-10-19(24-21)20(26)23-17-13-15(2)12-16(3)14-17/h5-14H,4H2,1-3H3,(H,23,26)
InChIKeyOFESCECMPJJWHF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.50
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide

N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315184) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315184
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nccc(C(=O)Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C21H22N4O/c1-4-25(18-8-6-5-7-9-18)21-22-11-10-19(24-21)20(26)23-17-13-15(2)12-16(3)14-17/h5-14H,4H2,1-3H3,(H,23,26)
InChIKeyOFESCECMPJJWHF-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-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
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
2-(N-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295026
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109315184) is N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1nccc(C(=O)Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is OFESCECMPJJWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-25(18-8-6-5-7-9-18)21-22-11-10-19(24-21)20(26)23-17-13-15(2)12-16(3)14-17/h5-14H,4H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)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-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).