5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

C11H16N2O2 — CID 126857566

IUPAC5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncn(CC2CCCO2)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-8-9(2)12-7-13(11(8)14)6-10-4-3-5-15-10/h7,10H,3-6H2,1-2H3
InChIKeyBUKPALAWULPIRA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.04
Rot. Bonds2

About 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one

5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857566) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID126857566
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncn(CC2CCCO2)c(=O)c1C
InChIInChI=1S/C11H16N2O2/c1-8-9(2)12-7-13(11(8)14)6-10-4-3-5-15-10/h7,10H,3-6H2,1-2H3
InChIKeyBUKPALAWULPIRA-UHFFFAOYSA-N
XLogP1.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 126857566) is 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is Cc1ncn(CC2CCCO2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is BUKPALAWULPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-9(2)12-7-13(11(8)14)6-10-4-3-5-15-10/h7,10H,3-6H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).