6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one

C9H11ClN2O3 — CID 114585153

IUPAC6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCOC2)c1=O
InChIInChI=1S/C9H11ClN2O3/c1-14-7-8(10)11-5-12(9(7)13)6-2-3-15-4-6/h5-6H,2-4H2,1H3
InChIKeyYPQIPWWEULPMAC-UHFFFAOYSA-N
MW230.65 g/mol
LogP0.87
Rot. Bonds2

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

6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one (PubChem CID 114585153) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one
PubChem CID114585153
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCOC2)c1=O
InChIInChI=1S/C9H11ClN2O3/c1-14-7-8(10)11-5-12(9(7)13)6-2-3-15-4-6/h5-6H,2-4H2,1H3
InChIKeyYPQIPWWEULPMAC-UHFFFAOYSA-N
XLogP0.87
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one (CID 114585153) is 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one is COc1c(Cl)ncn(C2CCOC2)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one?
The InChIKey is YPQIPWWEULPMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-14-7-8(10)11-5-12(9(7)13)6-2-3-15-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one?
6-chloro-5-methoxy-3-(oxolan-3-yl)pyrimidin-4-one has a molecular weight of 230.65 g/mol, XLogP of 0.87, 2 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-(oxolan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114585153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).