5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one

C7H8FN3O2 — CID 59223458

IUPAC5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one
SMILESCC(=O)CNc1[nH]c(=O)ncc1F
InChIInChI=1S/C7H8FN3O2/c1-4(12)2-9-6-5(8)3-10-7(13)11-6/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyCFMPDHGINPWILV-UHFFFAOYSA-N
MW185.16 g/mol
LogP-0.09
Rot. Bonds3

About 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one

5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one (PubChem CID 59223458) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one
PubChem CID59223458
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one
SMILESCC(=O)CNc1[nH]c(=O)ncc1F
InChIInChI=1S/C7H8FN3O2/c1-4(12)2-9-6-5(8)3-10-7(13)11-6/h3H,2H2,1H3,(H2,9,10,11,13)
InChIKeyCFMPDHGINPWILV-UHFFFAOYSA-N
XLogP-0.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one?
The IUPAC name of 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one (CID 59223458) is 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one is CC(=O)CNc1[nH]c(=O)ncc1F.
What is the InChIKey of 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one?
The InChIKey is CFMPDHGINPWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-4(12)2-9-6-5(8)3-10-7(13)11-6/h3H,2H2,1H3,(H2,9,10,11,13).
What are the key properties of 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one?
5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one has a molecular weight of 185.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-(2-oxopropylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 59223458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).