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

C7H9FN2O — CID 106517867

IUPAC5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)ncc1F
InChIInChI=1S/C7H9FN2O/c1-4(2)6-5(8)3-9-7(11)10-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyMNNMGMIVDSNOTJ-UHFFFAOYSA-N
MW156.16 g/mol
LogP1.03
Rot. Bonds1

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

5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 106517867) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID106517867
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCC(C)c1[nH]c(=O)ncc1F
InChIInChI=1S/C7H9FN2O/c1-4(2)6-5(8)3-9-7(11)10-6/h3-4H,1-2H3,(H,9,10,11)
InChIKeyMNNMGMIVDSNOTJ-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one (CID 106517867) is 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one is CC(C)c1[nH]c(=O)ncc1F.
What is the InChIKey of 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is MNNMGMIVDSNOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4(2)6-5(8)3-9-7(11)10-6/h3-4H,1-2H3,(H,9,10,11).
What are the key properties of 5-fluoro-6-propan-2-yl-1H-pyrimidin-2-one?
5-fluoro-6-propan-2-yl-1H-pyrimidin-2-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-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 106517867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).