3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one

C12H10Cl2N2O3 — CID 155165242

IUPAC3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one
SMILESCOc1c(O)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C12H10Cl2N2O3/c1-6-15-11(17)10(19-2)12(18)16(6)8-5-3-4-7(13)9(8)14/h3-5,17H,1-2H3
InChIKeyILOMQCLPCZCDIN-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.56
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one

3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one (PubChem CID 155165242) has the molecular formula C12H10Cl2N2O3 and a molecular weight of 301.13 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one
PubChem CID155165242
Molecular FormulaC12H10Cl2N2O3
Molecular Weight301.13 g/mol
Exact Mass300.01
IUPAC Name3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one
SMILESCOc1c(O)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
InChIInChI=1S/C12H10Cl2N2O3/c1-6-15-11(17)10(19-2)12(18)16(6)8-5-3-4-7(13)9(8)14/h3-5,17H,1-2H3
InChIKeyILOMQCLPCZCDIN-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one (CID 155165242) is 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one is COc1c(O)nc(C)n(-c2cccc(Cl)c2Cl)c1=O.
What is the InChIKey of 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one?
The InChIKey is ILOMQCLPCZCDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3/c1-6-15-11(17)10(19-2)12(18)16(6)8-5-3-4-7(13)9(8)14/h3-5,17H,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one?
3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one has a molecular weight of 301.13 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-6-hydroxy-5-methoxy-2-methylpyrimidin-4-one is sourced from PubChem (CID 155165242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).