6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one

C7H9ClN2O3 — CID 114585211

IUPAC6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one
SMILESCOCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C7H9ClN2O3/c1-12-4-10-3-9-6(8)5(13-2)7(10)11/h3H,4H2,1-2H3
InChIKeyVECZRQIGYZYXKZ-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.51
Rot. Bonds3

About 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one

6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one (PubChem CID 114585211) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one
PubChem CID114585211
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one
SMILESCOCn1cnc(Cl)c(OC)c1=O
InChIInChI=1S/C7H9ClN2O3/c1-12-4-10-3-9-6(8)5(13-2)7(10)11/h3H,4H2,1-2H3
InChIKeyVECZRQIGYZYXKZ-UHFFFAOYSA-N
XLogP0.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-5-methoxy-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705734
6-Chloro-5-methoxy-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114585140
6-Chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one
CID 114585262
6-Chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one
CID 114585282
6-Chloro-3-(2-fluoroethyl)-5-methoxypyrimidin-4-one
CID 114585376
6-Chloro-3-(3-fluoropropyl)-5-methoxypyrimidin-4-one
CID 114585453
2-Chloro-5-methoxy-3-methylpyrimidin-4(3H)-one
CID 66519725
5-Methoxy-3-methylpyrimidin-4-one
CID 67419227
6-Chloro-5-methoxypyrimidin-4-ol
CID 136292903
6-Chloro-5-methoxy-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455835
6-Chloro-3-(cyclopropylmethoxymethyl)-5-methoxypyrimidin-4-one
CID 106930435
6-Chloro-3-(2-hydroxyethyl)-5-methoxypyrimidin-4-one
CID 114585115

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one (CID 114585211) is 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one is COCn1cnc(Cl)c(OC)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one?
The InChIKey is VECZRQIGYZYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c1-12-4-10-3-9-6(8)5(13-2)7(10)11/h3H,4H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one?
6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one has a molecular weight of 204.61 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one is sourced from PubChem (CID 114585211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).