2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109268970

IUPAC2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2cccc(Cl)c2C)nc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-18-10-5-4-8-17(18)24-19(26)14-11-22-20(23-12-14)25-16-9-6-7-15(21)13(16)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyROGPCSNHQJITAB-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.83
Rot. Bonds6

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

2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109268970) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109268970
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(Nc2cccc(Cl)c2C)nc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-18-10-5-4-8-17(18)24-19(26)14-11-22-20(23-12-14)25-16-9-6-7-15(21)13(16)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyROGPCSNHQJITAB-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-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
N-(3-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267368
2-(3-chloro-2-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267816
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
2-(3-chloro-2-methylanilino)-N-(4-ethylphenyl)pyrimidine-5-carboxamide
CID 109267440
N-(2-cyanophenyl)-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269736
N-(3-chloro-2-methylphenyl)-N'-(2-ethoxyphenyl)propanediamide
CID 108955086
N-(2-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268603
6-N-(2-chlorophenyl)-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100812
N-(3-chloro-2-methylphenyl)-2-ethoxybenzamide
CID 723566
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide (CID 109268970) is 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)c1cnc(Nc2cccc(Cl)c2C)nc1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is ROGPCSNHQJITAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-27-18-10-5-4-8-17(18)24-19(26)14-11-22-20(23-12-14)25-16-9-6-7-15(21)13(16)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-(2-ethoxyphenyl)pyrimidine-5-carboxamide?
2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-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 2-(3-chloro-2-methylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).