6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

C11H15ClN2O3 — CID 103136917

IUPAC6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCOc1c(Cl)ncn(CC2CCC(C)O2)c1=O
InChIInChI=1S/C11H15ClN2O3/c1-7-3-4-8(17-7)5-14-6-13-10(12)9(16-2)11(14)15/h6-8H,3-5H2,1-2H3
InChIKeyDXQUMHPCXYBZMD-UHFFFAOYSA-N
MW258.70 g/mol
LogP1.47
Rot. Bonds3

About 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136917) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136917
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCOc1c(Cl)ncn(CC2CCC(C)O2)c1=O
InChIInChI=1S/C11H15ClN2O3/c1-7-3-4-8(17-7)5-14-6-13-10(12)9(16-2)11(14)15/h6-8H,3-5H2,1-2H3
InChIKeyDXQUMHPCXYBZMD-UHFFFAOYSA-N
XLogP1.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-5-methoxy-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 102899762
6-Chloro-5-methoxy-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 102899763
6-Chloro-2-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136896
6-Chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136899
5-Amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136901
5,6-Dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136903
5-Bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136906
6-Chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136908
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 113604638
6-Chloro-5-methoxy-3-(3-methoxycyclohexyl)pyrimidin-4-one
CID 113604663
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 114582022
6-Chloro-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 114582094

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136917) is 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is COc1c(Cl)ncn(CC2CCC(C)O2)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DXQUMHPCXYBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7-3-4-8(17-7)5-14-6-13-10(12)9(16-2)11(14)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
6-chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 258.70 g/mol, XLogP of 1.47, 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-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).