6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

C11H15ClN2O2 — CID 114581866

IUPAC6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC1CCCO1
InChIInChI=1S/C11H15ClN2O2/c1-8-13-10(12)7-11(15)14(8)5-4-9-3-2-6-16-9/h7,9H,2-6H2,1H3
InChIKeyROPVPOQXZANFAF-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.77
Rot. Bonds3

About 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one

6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (PubChem CID 114581866) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
PubChem CID114581866
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1CCC1CCCO1
InChIInChI=1S/C11H15ClN2O2/c1-8-13-10(12)7-11(15)14(8)5-4-9-3-2-6-16-9/h7,9H,2-6H2,1H3
InChIKeyROPVPOQXZANFAF-UHFFFAOYSA-N
XLogP1.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Iodo-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 66339819
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
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-2-cyclopropyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 113604569
6-Chloro-3-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 113604620
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpyrimidin-4-one
CID 114581594
6-Chloro-2-methyl-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
CID 114581648
6-Chloro-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 114581668
6-Chloro-2-methyl-3-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 114581853
6-Chloro-2-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
CID 114581965

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one (CID 114581866) is 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is Cc1nc(Cl)cc(=O)n1CCC1CCCO1.
What is the InChIKey of 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is ROPVPOQXZANFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-8-13-10(12)7-11(15)14(8)5-4-9-3-2-6-16-9/h7,9H,2-6H2,1H3.
What are the key properties of 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one?
6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114581866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).