2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C21H22N4O — CID 109304896

IUPAC2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-9-10-18(15(2)13-14)24-21-22-12-11-19(25-21)20(26)23-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyANEAMGFACWEHOX-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.33
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109304896) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109304896
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)c(C)c1
InChIInChI=1S/C21H22N4O/c1-14-9-10-18(15(2)13-14)24-21-22-12-11-19(25-21)20(26)23-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyANEAMGFACWEHOX-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304923
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
methyl 2-[[2-(2,4-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109314723
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304931
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
4-(2-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210679
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109304896) is 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is ANEAMGFACWEHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-9-10-18(15(2)13-14)24-21-22-12-11-19(25-21)20(26)23-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).