6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C19H17ClN4O2 — CID 112850129

IUPAC6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(Cl)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-21-17(19(25)24-15-7-9-16(26-2)10-8-15)11-18(22-12)23-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyXKLOMAFKGYLHTI-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

About 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 112850129) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID112850129
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Nc3ccc(Cl)cc3)nc(C)n2)cc1
InChIInChI=1S/C19H17ClN4O2/c1-12-21-17(19(25)24-15-7-9-16(26-2)10-8-15)11-18(22-12)23-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyXKLOMAFKGYLHTI-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850162
6-(4-chloroanilino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850131
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
N-[4-(dimethylamino)phenyl]-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850558
6-(4-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849931
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
6-(2,6-difluoroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850600
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112850176
6-(cyclopropylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109360895
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849731

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 112850129) is 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(Nc3ccc(Cl)cc3)nc(C)n2)cc1.
What is the InChIKey of 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is XKLOMAFKGYLHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-21-17(19(25)24-15-7-9-16(26-2)10-8-15)11-18(22-12)23-14-5-3-13(20)4-6-14/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112850129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).