1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one

C11H17N3O — CID 121271032

IUPAC1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
SMILESCC(C)n1ccc(C2CCNC2)nc1=O
InChIInChI=1S/C11H17N3O/c1-8(2)14-6-4-10(13-11(14)15)9-3-5-12-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyGSHTZCOBFZUVOP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.90
Rot. Bonds2

About 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one

1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one (PubChem CID 121271032) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
PubChem CID121271032
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one
SMILESCC(C)n1ccc(C2CCNC2)nc1=O
InChIInChI=1S/C11H17N3O/c1-8(2)14-6-4-10(13-11(14)15)9-3-5-12-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyGSHTZCOBFZUVOP-UHFFFAOYSA-N
XLogP0.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one?
The IUPAC name of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one (CID 121271032) is 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one is CC(C)n1ccc(C2CCNC2)nc1=O.
What is the InChIKey of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one?
The InChIKey is GSHTZCOBFZUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)14-6-4-10(13-11(14)15)9-3-5-12-7-9/h4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one?
1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one is sourced from PubChem (CID 121271032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).