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

C20H19ClN4O3 — CID 109337413

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-12-10-17(19(26)24-16-11-13(21)4-9-18(16)28-3)25-20(22-12)23-14-5-7-15(27-2)8-6-14/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyYAHHIAIXXYGQMK-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.45
Rot. Bonds6

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

N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337413) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337413
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)Nc3cc(Cl)ccc3OC)n2)cc1
InChIInChI=1S/C20H19ClN4O3/c1-12-10-17(19(26)24-16-11-13(21)4-9-18(16)28-3)25-20(22-12)23-14-5-7-15(27-2)8-6-14/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyYAHHIAIXXYGQMK-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-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
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
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(2-methylanilino)pyrimidine-4-carboxamide
CID 109334755
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336903
N-(2-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109336791
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
2-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337704
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(4-ethoxyanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337457
N-[4-[[4-(5-chloro-2-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112930326

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide (CID 109337413) is N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)Nc3cc(Cl)ccc3OC)n2)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is YAHHIAIXXYGQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-12-10-17(19(26)24-16-11-13(21)4-9-18(16)28-3)25-20(22-12)23-14-5-7-15(27-2)8-6-14/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-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 N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).