6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one

C7H9ClN2O2 — CID 114581704

IUPAC6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one
SMILESCOCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O2/c1-5-9-6(8)3-7(11)10(5)4-12-2/h3H,4H2,1-2H3
InChIKeyOHCGHIPZCOPLPM-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.81
Rot. Bonds2

About 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one

6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one (PubChem CID 114581704) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one
PubChem CID114581704
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one
SMILESCOCn1c(C)nc(Cl)cc1=O
InChIInChI=1S/C7H9ClN2O2/c1-5-9-6(8)3-7(11)10(5)4-12-2/h3H,4H2,1-2H3
InChIKeyOHCGHIPZCOPLPM-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one?
The IUPAC name of 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one (CID 114581704) is 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one is COCn1c(C)nc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one?
The InChIKey is OHCGHIPZCOPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-5-9-6(8)3-7(11)10(5)4-12-2/h3H,4H2,1-2H3.
What are the key properties of 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one?
6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one has a molecular weight of 188.61 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(methoxymethyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 114581704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).