3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

C11H16N2O2 — CID 116622767

IUPAC3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESO=c1ccncn1CCCC1CCCO1
InChIInChI=1S/C11H16N2O2/c14-11-5-6-12-9-13(11)7-1-3-10-4-2-8-15-10/h5-6,9-10H,1-4,7-8H2
InChIKeyMVBZBBHADSWJEW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.20
Rot. Bonds4

About 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (PubChem CID 116622767) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
PubChem CID116622767
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESO=c1ccncn1CCCC1CCCO1
InChIInChI=1S/C11H16N2O2/c14-11-5-6-12-9-13(11)7-1-3-10-4-2-8-15-10/h5-6,9-10H,1-4,7-8H2
InChIKeyMVBZBBHADSWJEW-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The IUPAC name of 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (CID 116622767) is 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is O=c1ccncn1CCCC1CCCO1.
What is the InChIKey of 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The InChIKey is MVBZBBHADSWJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-5-6-12-9-13(11)7-1-3-10-4-2-8-15-10/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 116622767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).