4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one

C11H14N2O — CID 130056140

IUPAC4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one
SMILESO=c1nc(C2CCC2)cc(C2CC2)[nH]1
InChIInChI=1S/C11H14N2O/c14-11-12-9(7-2-1-3-7)6-10(13-11)8-4-5-8/h6-8H,1-5H2,(H,12,13,14)
InChIKeyZTQVJXAWHIEHQY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.91
Rot. Bonds2

About 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one

4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one (PubChem CID 130056140) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one
PubChem CID130056140
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one
SMILESO=c1nc(C2CCC2)cc(C2CC2)[nH]1
InChIInChI=1S/C11H14N2O/c14-11-12-9(7-2-1-3-7)6-10(13-11)8-4-5-8/h6-8H,1-5H2,(H,12,13,14)
InChIKeyZTQVJXAWHIEHQY-UHFFFAOYSA-N
XLogP1.91
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one?
The IUPAC name of 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one (CID 130056140) is 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one is O=c1nc(C2CCC2)cc(C2CC2)[nH]1.
What is the InChIKey of 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one?
The InChIKey is ZTQVJXAWHIEHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c14-11-12-9(7-2-1-3-7)6-10(13-11)8-4-5-8/h6-8H,1-5H2,(H,12,13,14).
What are the key properties of 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one?
4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-cyclopropyl-1H-pyrimidin-2-one is sourced from PubChem (CID 130056140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).