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

C10H13ClN2O2 — CID 103136899

IUPAC6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)cc2=O)O1
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(15-7)5-13-6-12-9(11)4-10(13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyVMTQLIXXCHTVHG-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.46
Rot. Bonds2

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

6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136899) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136899
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)cc2=O)O1
InChIInChI=1S/C10H13ClN2O2/c1-7-2-3-8(15-7)5-13-6-12-9(11)4-10(13)14/h4,6-8H,2-3,5H2,1H3
InChIKeyVMTQLIXXCHTVHG-UHFFFAOYSA-N
XLogP1.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Oxolan-2-ylmethyl)pyrimidin-4-one
CID 115696868
2-Methoxy-6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 79375936
5-Iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136836
6-Chloro-2-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136896
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-2-ethyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136909
6-Chloro-3-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylpyrimidin-4-one
CID 103136914
6-Chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136917
2-Methoxy-6-methyl-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103140217

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136899) is 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnc(Cl)cc2=O)O1.
What is the InChIKey of 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is VMTQLIXXCHTVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7-2-3-8(15-7)5-13-6-12-9(11)4-10(13)14/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 228.68 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).