5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C11H17N3O — CID 153435006

IUPAC5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8(2)9-7-12-11(13-10(9)15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyGAFNMYWPOLKIJU-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.49
Rot. Bonds2

About 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 153435006) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID153435006
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cnc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8(2)9-7-12-11(13-10(9)15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyGAFNMYWPOLKIJU-UHFFFAOYSA-N
XLogP1.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 153435006) is 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is CC(C)c1cnc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is GAFNMYWPOLKIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)9-7-12-11(13-10(9)15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 153435006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).