2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide

C20H19ClN4O3 — CID 109337046

IUPAC2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C)nc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H19ClN4O3/c1-12-9-17(25-20(22-12)23-14-6-4-5-13(21)10-14)19(26)24-16-11-15(27-2)7-8-18(16)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyPYWDDXZRUBYZKZ-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337046) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337046
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(C)nc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C20H19ClN4O3/c1-12-9-17(25-20(22-12)23-14-6-4-5-13(21)10-14)19(26)24-16-11-15(27-2)7-8-18(16)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyPYWDDXZRUBYZKZ-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-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
2-(4-cyanoanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337749
2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329352
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
N-(2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334921
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850101

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337046) is 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(C)nc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PYWDDXZRUBYZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-9-17(25-20(22-12)23-14-6-4-5-13(21)10-14)19(26)24-16-11-15(27-2)7-8-18(16)28-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-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 2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).