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

C7H9FN2O — CID 67476784

IUPAC5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(F)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4(2)6-9-3-5(8)7(11)10-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyUGXLGIBPOFNBGY-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.03
Rot. Bonds1

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

5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 67476784) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID67476784
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(F)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O/c1-4(2)6-9-3-5(8)7(11)10-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyUGXLGIBPOFNBGY-UHFFFAOYSA-N
XLogP1.03
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethylpyrimidin-4-ol
CID 242454
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-ethyl-3H-pyrimidin-4-one
CID 295880
4(3H)-Pyrimidinone, 2-(1,1-difluoroethyl)-
CID 22180793
2-(Fluoromethyl)-5-methylpyrimidin-4(3H)-one
CID 22947838
2-Ethyl-5-fluoropyrimidin-4(1H)-one
CID 45080158
5-Fluoro-2-methylpyrimidin-4-ol
CID 45080525
2-Methyl-5-(trifluoromethyl)pyrimidin-4-ol
CID 54003329
2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 61392911
2-butan-2-yl-5-fluoro-1H-pyrimidin-6-one
CID 67478305

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one (CID 67476784) is 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(F)c(=O)[nH]1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is UGXLGIBPOFNBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4(2)6-9-3-5(8)7(11)10-6/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one?
5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 156.16 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 67476784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).