3-(2-cyclopropylethyl)pyrimidin-4-one

C9H12N2O — CID 116622755

IUPAC3-(2-cyclopropylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCC1CC1
InChIInChI=1S/C9H12N2O/c12-9-3-5-10-7-11(9)6-4-8-1-2-8/h3,5,7-8H,1-2,4,6H2
InChIKeyIXDPQQMECGDQET-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.04
Rot. Bonds3

About 3-(2-cyclopropylethyl)pyrimidin-4-one

3-(2-cyclopropylethyl)pyrimidin-4-one (PubChem CID 116622755) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-(2-cyclopropylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopropylethyl)pyrimidin-4-one
PubChem CID116622755
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-(2-cyclopropylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCC1CC1
InChIInChI=1S/C9H12N2O/c12-9-3-5-10-7-11(9)6-4-8-1-2-8/h3,5,7-8H,1-2,4,6H2
InChIKeyIXDPQQMECGDQET-UHFFFAOYSA-N
XLogP1.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-cyclopropylethyl)pyrimidin-4-one (CID 116622755) is 3-(2-cyclopropylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-cyclopropylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-cyclopropylethyl)pyrimidin-4-one is O=c1ccncn1CCC1CC1.
What is the InChIKey of 3-(2-cyclopropylethyl)pyrimidin-4-one?
The InChIKey is IXDPQQMECGDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-3-5-10-7-11(9)6-4-8-1-2-8/h3,5,7-8H,1-2,4,6H2.
What are the key properties of 3-(2-cyclopropylethyl)pyrimidin-4-one?
3-(2-cyclopropylethyl)pyrimidin-4-one has a molecular weight of 164.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylethyl)pyrimidin-4-one is sourced from PubChem (CID 116622755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).