4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one

C7H9FN2O — CID 135627622

IUPAC4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(F)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H9FN2O/c1-7(2,8)5-3-6(11)10-4-9-5/h3-4H,1-2H3,(H,9,10,11)
InChIKeyBWBVZBYKWRWBER-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.97
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one

4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 135627622) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
PubChem CID135627622
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one
SMILESCC(C)(F)c1cc(=O)[nH]cn1
InChIInChI=1S/C7H9FN2O/c1-7(2,8)5-3-6(11)10-4-9-5/h3-4H,1-2H3,(H,9,10,11)
InChIKeyBWBVZBYKWRWBER-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one (CID 135627622) is 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one is CC(C)(F)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is BWBVZBYKWRWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-7(2,8)5-3-6(11)10-4-9-5/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one?
4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 156.16 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135627622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).