2-chloro-5-methoxy-3-methylpyrimidin-4-one

C6H7ClN2O2 — CID 66519725

IUPAC2-chloro-5-methoxy-3-methylpyrimidin-4-one
SMILESCOc1cnc(Cl)n(C)c1=O
InChIInChI=1S/C6H7ClN2O2/c1-9-5(10)4(11-2)3-8-6(9)7/h3H,1-2H3
InChIKeyOMXQZFRQKBMKMW-UHFFFAOYSA-N
MW174.59 g/mol
LogP0.44
Rot. Bonds1

About 2-chloro-5-methoxy-3-methylpyrimidin-4-one

2-chloro-5-methoxy-3-methylpyrimidin-4-one (PubChem CID 66519725) has the molecular formula C6H7ClN2O2 and a molecular weight of 174.59 g/mol. Its IUPAC name is 2-chloro-5-methoxy-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-5-methoxy-3-methylpyrimidin-4-one
PubChem CID66519725
Molecular FormulaC6H7ClN2O2
Molecular Weight174.59 g/mol
Exact Mass174.02
IUPAC Name2-chloro-5-methoxy-3-methylpyrimidin-4-one
SMILESCOc1cnc(Cl)n(C)c1=O
InChIInChI=1S/C6H7ClN2O2/c1-9-5(10)4(11-2)3-8-6(9)7/h3H,1-2H3
InChIKeyOMXQZFRQKBMKMW-UHFFFAOYSA-N
XLogP0.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.59
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-3-methylpyrimidin-4-one?
The IUPAC name of 2-chloro-5-methoxy-3-methylpyrimidin-4-one (CID 66519725) is 2-chloro-5-methoxy-3-methylpyrimidin-4-one.
What is the SMILES notation for 2-chloro-5-methoxy-3-methylpyrimidin-4-one?
The canonical SMILES for 2-chloro-5-methoxy-3-methylpyrimidin-4-one is COc1cnc(Cl)n(C)c1=O.
What is the InChIKey of 2-chloro-5-methoxy-3-methylpyrimidin-4-one?
The InChIKey is OMXQZFRQKBMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O2/c1-9-5(10)4(11-2)3-8-6(9)7/h3H,1-2H3.
What are the key properties of 2-chloro-5-methoxy-3-methylpyrimidin-4-one?
2-chloro-5-methoxy-3-methylpyrimidin-4-one has a molecular weight of 174.59 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-3-methylpyrimidin-4-one is sourced from PubChem (CID 66519725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).