4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

C12H16N2O2 — CID 135975504

IUPAC4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(CC2CCCO2)[nH]1
InChIInChI=1S/C12H16N2O2/c15-12-7-10(8-3-4-8)13-11(14-12)6-9-2-1-5-16-9/h7-9H,1-6H2,(H,13,14,15)
InChIKeyCDVFWNOVIYPHQX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.37
Rot. Bonds3

About 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135975504) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135975504
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(CC2CCCO2)[nH]1
InChIInChI=1S/C12H16N2O2/c15-12-7-10(8-3-4-8)13-11(14-12)6-9-2-1-5-16-9/h7-9H,1-6H2,(H,13,14,15)
InChIKeyCDVFWNOVIYPHQX-UHFFFAOYSA-N
XLogP1.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one (CID 135975504) is 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(CC2CCCO2)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is CDVFWNOVIYPHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12-7-10(8-3-4-8)13-11(14-12)6-9-2-1-5-16-9/h7-9H,1-6H2,(H,13,14,15).
What are the key properties of 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 220.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).