2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

C21H21ClN4O — CID 109304923

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C21H21ClN4O/c1-13-11-14(2)19(17(22)12-13)26-21-23-10-9-18(25-21)20(27)24-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyVKQISFJPTBYXBJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.98
Rot. Bonds5

About 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109304923) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109304923
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C21H21ClN4O/c1-13-11-14(2)19(17(22)12-13)26-21-23-10-9-18(25-21)20(27)24-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,24,27)(H,23,25,26)
InChIKeyVKQISFJPTBYXBJ-UHFFFAOYSA-N
XLogP4.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304896
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953
2-(2-chloro-4,6-dimethylanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317373
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109256409
2-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyrimidine-4-carboxamide
CID 109317385
N-[(2-chlorophenyl)methyl]-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109305892
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304931
4-(4-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210681
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109304923) is 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is Cc1cc(C)c(Nc2nccc(C(=O)NC(C)c3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is VKQISFJPTBYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-13-11-14(2)19(17(22)12-13)26-21-23-10-9-18(25-21)20(27)24-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109304923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).