6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one

C12H16N2O2 — CID 126857652

IUPAC6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1C1CCOCC1
InChIInChI=1S/C12H16N2O2/c15-12-7-11(9-1-2-9)13-8-14(12)10-3-5-16-6-4-10/h7-10H,1-6H2
InChIKeyHIXKGEANLXNLKW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.47
Rot. Bonds2

About 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one

6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one (PubChem CID 126857652) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one
PubChem CID126857652
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1C1CCOCC1
InChIInChI=1S/C12H16N2O2/c15-12-7-11(9-1-2-9)13-8-14(12)10-3-5-16-6-4-10/h7-10H,1-6H2
InChIKeyHIXKGEANLXNLKW-UHFFFAOYSA-N
XLogP1.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one (CID 126857652) is 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one is O=c1cc(C2CC2)ncn1C1CCOCC1.
What is the InChIKey of 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one?
The InChIKey is HIXKGEANLXNLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12-7-11(9-1-2-9)13-8-14(12)10-3-5-16-6-4-10/h7-10H,1-6H2.
What are the key properties of 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one?
6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(oxan-4-yl)pyrimidin-4-one is sourced from PubChem (CID 126857652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).