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

C11H18ClN3O — CID 121271031

IUPAC1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride
SMILESCC(C)n1ccc(C2CCNC2)nc1=O.Cl
InChIInChI=1S/C11H17N3O.ClH/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;1H
InChIKeyMBBBHOKNPLXLIL-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.32
Rot. Bonds2

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

1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride (PubChem CID 121271031) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride
PubChem CID121271031
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride
SMILESCC(C)n1ccc(C2CCNC2)nc1=O.Cl
InChIInChI=1S/C11H17N3O.ClH/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;1H
InChIKeyMBBBHOKNPLXLIL-UHFFFAOYSA-N
XLogP1.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.32
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;hydrochloride?
The IUPAC name of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride (CID 121271031) is 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride is CC(C)n1ccc(C2CCNC2)nc1=O.Cl.
What is the InChIKey of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride?
The InChIKey is MBBBHOKNPLXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/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;1H.
What are the key properties of 1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride?
1-propan-2-yl-4-pyrrolidin-3-ylpyrimidin-2-one;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.32, 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;hydrochloride is sourced from PubChem (CID 121271031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).