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

C10H14N2O2 — CID 115696927

IUPAC3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CCCCO1
InChIInChI=1S/C10H14N2O2/c13-10-4-5-11-8-12(10)7-9-3-1-2-6-14-9/h4-5,8-9H,1-3,6-7H2
InChIKeyWPXWTPJAEIMTPP-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.81
Rot. Bonds2

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

3-(oxan-2-ylmethyl)pyrimidin-4-one (PubChem CID 115696927) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)pyrimidin-4-one
PubChem CID115696927
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(oxan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CCCCO1
InChIInChI=1S/C10H14N2O2/c13-10-4-5-11-8-12(10)7-9-3-1-2-6-14-9/h4-5,8-9H,1-3,6-7H2
InChIKeyWPXWTPJAEIMTPP-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(oxan-2-ylmethyl)pyrimidin-4-one (CID 115696927) is 3-(oxan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(oxan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(oxan-2-ylmethyl)pyrimidin-4-one is O=c1ccncn1CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is WPXWTPJAEIMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10-4-5-11-8-12(10)7-9-3-1-2-6-14-9/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 3-(oxan-2-ylmethyl)pyrimidin-4-one?
3-(oxan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 115696927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).