N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

C20H19ClN4O2 — CID 109317293

IUPACN-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-16-8-6-14(7-9-16)24-20-22-11-10-18(25-20)19(26)23-15-5-4-13(2)17(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyKEGNZADJMMGAEQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.83
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317293) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317293
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-16-8-6-14(7-9-16)24-20-22-11-10-18(25-20)19(26)23-15-5-4-13(2)17(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyKEGNZADJMMGAEQ-UHFFFAOYSA-N
XLogP4.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
N-(3-chloro-4-methylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294844
2-(3-chloro-4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313532
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315091
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
N-(3-chloro-4-methylphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312009
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109305909
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide (CID 109317293) is N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is CCOc1ccc(Nc2nccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is KEGNZADJMMGAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-27-16-8-6-14(7-9-16)24-20-22-11-10-18(25-20)19(26)23-15-5-4-13(2)17(21)12-15/h4-12H,3H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).