2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

C14H16ClN3O4 — CID 136778545

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C14H16ClN3O4/c1-20-7-8-4-13(19)18-14(16-8)17-10-6-11(21-2)9(15)5-12(10)22-3/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyKIGOKQZKSRWDLK-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.33
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one

2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136778545) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136778545
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(Nc2cc(OC)c(Cl)cc2OC)n1
InChIInChI=1S/C14H16ClN3O4/c1-20-7-8-4-13(19)18-14(16-8)17-10-6-11(21-2)9(15)5-12(10)22-3/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyKIGOKQZKSRWDLK-UHFFFAOYSA-N
XLogP2.33
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 136778551
2-(2-chloro-4-fluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741545
4-(methoxymethyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741563
2-[2-chloro-5-(trifluoromethyl)anilino]-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741543
2-(2,3-dimethylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136778710
2-(2-fluoro-5-methylanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741575
4-butyl-2-(5-chloro-2-methoxyanilino)-1H-pyrimidin-6-one
CID 136778998
2-(2,5-dimethoxyanilino)-4-ethyl-1H-pyrimidin-6-one
CID 135763942
2-(2,6-difluoroanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136741544
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
2-(2-methoxy-5-methylanilino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779075
3-(4-chloro-2,5-dimethoxyanilino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136778560

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136778545) is 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(Nc2cc(OC)c(Cl)cc2OC)n1.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is KIGOKQZKSRWDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c1-20-7-8-4-13(19)18-14(16-8)17-10-6-11(21-2)9(15)5-12(10)22-3/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one?
2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 325.75 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136778545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).