2-(3-fluoropropyl)-1H-pyrimidin-6-one

C7H9FN2O — CID 141458657

IUPAC2-(3-fluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CCCF)[nH]1
InChIInChI=1S/C7H9FN2O/c8-4-1-2-6-9-5-3-7(11)10-6/h3,5H,1-2,4H2,(H,9,10,11)
InChIKeyPUPVFERFYBBCLQ-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.67
Rot. Bonds3

About 2-(3-fluoropropyl)-1H-pyrimidin-6-one

2-(3-fluoropropyl)-1H-pyrimidin-6-one (PubChem CID 141458657) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-fluoropropyl)-1H-pyrimidin-6-one
PubChem CID141458657
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-(3-fluoropropyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(CCCF)[nH]1
InChIInChI=1S/C7H9FN2O/c8-4-1-2-6-9-5-3-7(11)10-6/h3,5H,1-2,4H2,(H,9,10,11)
InChIKeyPUPVFERFYBBCLQ-UHFFFAOYSA-N
XLogP0.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-fluoropropyl)-1H-pyrimidin-6-one (CID 141458657) is 2-(3-fluoropropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-fluoropropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-fluoropropyl)-1H-pyrimidin-6-one is O=c1ccnc(CCCF)[nH]1.
What is the InChIKey of 2-(3-fluoropropyl)-1H-pyrimidin-6-one?
The InChIKey is PUPVFERFYBBCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-4-1-2-6-9-5-3-7(11)10-6/h3,5H,1-2,4H2,(H,9,10,11).
What are the key properties of 2-(3-fluoropropyl)-1H-pyrimidin-6-one?
2-(3-fluoropropyl)-1H-pyrimidin-6-one has a molecular weight of 156.16 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 141458657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).