N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C20H19ClN4O3 — CID 112850388

IUPACN-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3OC)nc(C)n2)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-12-22-16(20(26)24-13-8-9-17(27-2)14(21)10-13)11-19(23-12)25-15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyCCSRPCZJQLSLDA-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850388) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112850388
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccccc3OC)nc(C)n2)cc1Cl
InChIInChI=1S/C20H19ClN4O3/c1-12-22-16(20(26)24-13-8-9-17(27-2)14(21)10-13)11-19(23-12)25-15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyCCSRPCZJQLSLDA-UHFFFAOYSA-N
XLogP4.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849160
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395
N-(3-chloro-4-methoxyphenyl)-6-(3-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112850391
N-(3-chloro-4-methoxyphenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199580
6-(4-chloro-2-methylanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850264
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
N-(3-chloro-4-methoxyphenyl)-6-(cyclopropylamino)-2-methylpyrimidine-4-carboxamide
CID 109360889
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101
6-(3-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850197
N-(3,4-dimethoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848932
6-(2,4-difluoroanilino)-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850469

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 112850388) is N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccccc3OC)nc(C)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is CCSRPCZJQLSLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-22-16(20(26)24-13-8-9-17(27-2)14(21)10-13)11-19(23-12)25-15-6-4-5-7-18(15)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).