6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one

C5H8FN3O — CID 118242075

IUPAC6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one
SMILESCN1C=C(F)C(N)NC1=O
InChIInChI=1S/C5H8FN3O/c1-9-2-3(6)4(7)8-5(9)10/h2,4H,7H2,1H3,(H,8,10)
InChIKeyVKPPPXDBHVIZHO-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.26
Rot. Bonds

About 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one

6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one (PubChem CID 118242075) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one
PubChem CID118242075
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one
SMILESCN1C=C(F)C(N)NC1=O
InChIInChI=1S/C5H8FN3O/c1-9-2-3(6)4(7)8-5(9)10/h2,4H,7H2,1H3,(H,8,10)
InChIKeyVKPPPXDBHVIZHO-UHFFFAOYSA-N
XLogP-0.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one (CID 118242075) is 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one is CN1C=C(F)C(N)NC1=O.
What is the InChIKey of 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one?
The InChIKey is VKPPPXDBHVIZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-9-2-3(6)4(7)8-5(9)10/h2,4H,7H2,1H3,(H,8,10).
What are the key properties of 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one?
6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one has a molecular weight of 145.14 g/mol, XLogP of -0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-3-methyl-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 118242075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).