6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one

C12H17N3O — CID 126857668

IUPAC6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one
SMILESO=c1cc(C2CCC2)ncn1C1CCNC1
InChIInChI=1S/C12H17N3O/c16-12-6-11(9-2-1-3-9)14-8-15(12)10-4-5-13-7-10/h6,8-10,13H,1-5,7H2
InChIKeyJFOMJHUZSDNMCO-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds2

About 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one

6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one (PubChem CID 126857668) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one
PubChem CID126857668
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one
SMILESO=c1cc(C2CCC2)ncn1C1CCNC1
InChIInChI=1S/C12H17N3O/c16-12-6-11(9-2-1-3-9)14-8-15(12)10-4-5-13-7-10/h6,8-10,13H,1-5,7H2
InChIKeyJFOMJHUZSDNMCO-UHFFFAOYSA-N
XLogP1.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one?
The IUPAC name of 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one (CID 126857668) is 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one.
What is the SMILES notation for 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one?
The canonical SMILES for 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one is O=c1cc(C2CCC2)ncn1C1CCNC1.
What is the InChIKey of 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one?
The InChIKey is JFOMJHUZSDNMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-6-11(9-2-1-3-9)14-8-15(12)10-4-5-13-7-10/h6,8-10,13H,1-5,7H2.
What are the key properties of 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one?
6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-pyrrolidin-3-ylpyrimidin-4-one is sourced from PubChem (CID 126857668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).