3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one

C9H12N2O2 — CID 63905590

IUPAC3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)C1CC1
InChIInChI=1S/C9H12N2O2/c12-8(7-1-2-7)5-11-6-10-4-3-9(11)13/h3-4,6-8,12H,1-2,5H2
InChIKeyLCJDEVBZOITBOY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.01
Rot. Bonds3

About 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one

3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one (PubChem CID 63905590) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
PubChem CID63905590
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC(O)C1CC1
InChIInChI=1S/C9H12N2O2/c12-8(7-1-2-7)5-11-6-10-4-3-9(11)13/h3-4,6-8,12H,1-2,5H2
InChIKeyLCJDEVBZOITBOY-UHFFFAOYSA-N
XLogP0.01
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one (CID 63905590) is 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one is O=c1ccncn1CC(O)C1CC1.
What is the InChIKey of 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is LCJDEVBZOITBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8(7-1-2-7)5-11-6-10-4-3-9(11)13/h3-4,6-8,12H,1-2,5H2.
What are the key properties of 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one?
3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 63905590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).