6-amino-5-fluoro-1-methylpyrimidin-2-one

C5H6FN3O — CID 71494961

IUPAC6-amino-5-fluoro-1-methylpyrimidin-2-one
SMILESCn1c(N)c(F)cnc1=O
InChIInChI=1S/C5H6FN3O/c1-9-4(7)3(6)2-8-5(9)10/h2H,7H2,1H3
InChIKeyMTOLUWFRBZWWOR-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.50
Rot. Bonds

About 6-amino-5-fluoro-1-methylpyrimidin-2-one

6-amino-5-fluoro-1-methylpyrimidin-2-one (PubChem CID 71494961) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 6-amino-5-fluoro-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-1-methylpyrimidin-2-one
PubChem CID71494961
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name6-amino-5-fluoro-1-methylpyrimidin-2-one
SMILESCn1c(N)c(F)cnc1=O
InChIInChI=1S/C5H6FN3O/c1-9-4(7)3(6)2-8-5(9)10/h2H,7H2,1H3
InChIKeyMTOLUWFRBZWWOR-UHFFFAOYSA-N
XLogP-0.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1-methylpyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-1-methylpyrimidin-2-one (CID 71494961) is 6-amino-5-fluoro-1-methylpyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-1-methylpyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-1-methylpyrimidin-2-one is Cn1c(N)c(F)cnc1=O.
What is the InChIKey of 6-amino-5-fluoro-1-methylpyrimidin-2-one?
The InChIKey is MTOLUWFRBZWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-9-4(7)3(6)2-8-5(9)10/h2H,7H2,1H3.
What are the key properties of 6-amino-5-fluoro-1-methylpyrimidin-2-one?
6-amino-5-fluoro-1-methylpyrimidin-2-one has a molecular weight of 143.12 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-1-methylpyrimidin-2-one is sourced from PubChem (CID 71494961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).