2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C20H19ClN4O3 — CID 109337405

IUPAC2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-12-10-17(19(26)23-14-5-7-15(27-2)8-6-14)25-20(22-12)24-16-11-13(21)4-9-18(16)28-3/h4-11H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyJOHYRILJGKBJGC-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337405) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109337405
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-12-10-17(19(26)23-14-5-7-15(27-2)8-6-14)25-20(22-12)24-16-11-13(21)4-9-18(16)28-3/h4-11H,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyJOHYRILJGKBJGC-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

2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336903
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337413
N-(4-methoxyphenyl)-6-methyl-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109337606
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
N-(4-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334759
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337395
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109337405) is 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(Nc3cc(Cl)ccc3OC)n2)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is JOHYRILJGKBJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-10-17(19(26)23-14-5-7-15(27-2)8-6-14)25-20(22-12)24-16-11-13(21)4-9-18(16)28-3/h4-11H,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-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-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).