2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109269044

IUPAC2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3C)nc2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-17-8-6-16(7-9-17)24-19(26)14-11-22-20(23-12-14)25-18-10-15(21)5-4-13(18)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJWDPDUTZHLSFII-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.83
Rot. Bonds6

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

2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109269044) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109269044
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3C)nc2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-3-27-17-8-6-16(7-9-17)24-19(26)14-11-22-20(23-12-14)25-18-10-15(21)5-4-13(18)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyJWDPDUTZHLSFII-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

N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269080
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
N-(5-chloro-2-methylphenyl)-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109244724
N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
ethyl 4-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266662
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109261471
ethyl 4-[[5-[(4-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109268853
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-(5-chloro-2-methylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109269010
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335728
2-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314853
methyl 4-[[6-(5-chloro-2-methylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163584

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (CID 109269044) is 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(Nc3cc(Cl)ccc3C)nc2)cc1.
What is the InChIKey of 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is JWDPDUTZHLSFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-3-27-17-8-6-16(7-9-17)24-19(26)14-11-22-20(23-12-14)25-18-10-15(21)5-4-13(18)2/h4-12H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
2-(5-chloro-2-methylanilino)-N-(4-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-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109269044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).