6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one

C9H12FN3O — CID 171701615

IUPAC6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCC(F)C2)cc1=O
InChIInChI=1S/C9H12FN3O/c1-12-6-11-8(4-9(12)14)13-3-2-7(10)5-13/h4,6-7H,2-3,5H2,1H3
InChIKeyPWHOBAXFDWELQC-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.33
Rot. Bonds1

About 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one

6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one (PubChem CID 171701615) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one
PubChem CID171701615
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCC(F)C2)cc1=O
InChIInChI=1S/C9H12FN3O/c1-12-6-11-8(4-9(12)14)13-3-2-7(10)5-13/h4,6-7H,2-3,5H2,1H3
InChIKeyPWHOBAXFDWELQC-UHFFFAOYSA-N
XLogP0.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one (CID 171701615) is 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one is Cn1cnc(N2CCC(F)C2)cc1=O.
What is the InChIKey of 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one?
The InChIKey is PWHOBAXFDWELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-12-6-11-8(4-9(12)14)13-3-2-7(10)5-13/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one?
6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one has a molecular weight of 197.21 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropyrrolidin-1-yl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 171701615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).