2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide

C20H19ClN4O — CID 109267440

IUPAC2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3cccc(Cl)c3C)nc2)cc1
InChIInChI=1S/C20H19ClN4O/c1-3-14-7-9-16(10-8-14)24-19(26)15-11-22-20(23-12-15)25-18-6-4-5-17(21)13(18)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyXYQMTJQQNLUUFO-UHFFFAOYSA-N
MW366.85 g/mol
LogP5.00
Rot. Bonds5

About 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide

2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267440) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267440
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc(Nc3cccc(Cl)c3C)nc2)cc1
InChIInChI=1S/C20H19ClN4O/c1-3-14-7-9-16(10-8-14)24-19(26)15-11-22-20(23-12-15)25-18-6-4-5-17(21)13(18)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyXYQMTJQQNLUUFO-UHFFFAOYSA-N
XLogP5.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109268970
2-(3-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109268988
2-(3-chloro-2-methylanilino)-N-prop-2-enylpyrimidine-5-carboxamide
CID 109247769
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
N-(4-ethylphenyl)-2-(3-fluoroanilino)pyrimidine-5-carboxamide
CID 109267473
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide (CID 109267440) is 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc(Nc3cccc(Cl)c3C)nc2)cc1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is XYQMTJQQNLUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-3-14-7-9-16(10-8-14)24-19(26)15-11-22-20(23-12-15)25-18-6-4-5-17(21)13(18)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide?
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).