5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

C11H16N2O2 — CID 126857627

IUPAC5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESCc1cncn(CC2CCCCO2)c1=O
InChIInChI=1S/C11H16N2O2/c1-9-6-12-8-13(11(9)14)7-10-4-2-3-5-15-10/h6,8,10H,2-5,7H2,1H3
InChIKeyBJDDPYKDJQEFKK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.12
Rot. Bonds2

About 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one

5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857627) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID126857627
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESCc1cncn(CC2CCCCO2)c1=O
InChIInChI=1S/C11H16N2O2/c1-9-6-12-8-13(11(9)14)7-10-4-2-3-5-15-10/h6,8,10H,2-5,7H2,1H3
InChIKeyBJDDPYKDJQEFKK-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 126857627) is 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is Cc1cncn(CC2CCCCO2)c1=O.
What is the InChIKey of 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is BJDDPYKDJQEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-6-12-8-13(11(9)14)7-10-4-2-3-5-15-10/h6,8,10H,2-5,7H2,1H3.
What are the key properties of 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one?
5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).