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

C7H9FN2O — CID 119089180

IUPAC2-(2-fluoropropyl)-1H-pyrimidin-6-one
SMILESCC(F)Cc1nccc(=O)[nH]1
InChIInChI=1S/C7H9FN2O/c1-5(8)4-6-9-3-2-7(11)10-6/h2-3,5H,4H2,1H3,(H,9,10,11)
InChIKeyLJPFZRZTZYQBTP-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.67
Rot. Bonds2

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

2-(2-fluoropropyl)-1H-pyrimidin-6-one (PubChem CID 119089180) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 2-(2-fluoropropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluoropropyl)-1H-pyrimidin-6-one
PubChem CID119089180
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name2-(2-fluoropropyl)-1H-pyrimidin-6-one
SMILESCC(F)Cc1nccc(=O)[nH]1
InChIInChI=1S/C7H9FN2O/c1-5(8)4-6-9-3-2-7(11)10-6/h2-3,5H,4H2,1H3,(H,9,10,11)
InChIKeyLJPFZRZTZYQBTP-UHFFFAOYSA-N
XLogP0.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

2-Methyl-1,4-dihydropyrimidin-4-one
CID 250451
2-Tert-butyl-3,4-dihydropyrimidin-4-one
CID 12258917
2-(Propan-2-yl)pyrimidin-4-ol
CID 12440895
2-Cyclopropylpyrimidin-4-ol
CID 20504164
2-Methylpyrimidin-4-ol hydrochloride
CID 119106306
2-Fluoromethylpyrimidin-4(3h)-one
CID 19748096
2-ethyl-3H-pyrimidin-4-one
CID 295880
2-(2-Aminoethyl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137946049
2-(4-Hydroxypyrimidin-2-YL)ethanamine
CID 18768454
4(3H)-Pyrimidinone, 2-(1,1-difluoroethyl)-
CID 22180793
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrimidin-6-one
CID 33698049
2-Ethyl-5-fluoropyrimidin-4(1H)-one
CID 45080158

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluoropropyl)-1H-pyrimidin-6-one (CID 119089180) is 2-(2-fluoropropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluoropropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluoropropyl)-1H-pyrimidin-6-one is CC(F)Cc1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-fluoropropyl)-1H-pyrimidin-6-one?
The InChIKey is LJPFZRZTZYQBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-5(8)4-6-9-3-2-7(11)10-6/h2-3,5H,4H2,1H3,(H,9,10,11).
What are the key properties of 2-(2-fluoropropyl)-1H-pyrimidin-6-one?
2-(2-fluoropropyl)-1H-pyrimidin-6-one has a molecular weight of 156.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 119089180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).