4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one

C5H6FN3O — CID 135415817

IUPAC4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(F)c(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H3,7,8,9,10)
InChIKeyWWWIWBPKQXVWBV-UHFFFAOYSA-N
MW143.12 g/mol
LogP-0.20
Rot. Bonds

About 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one

4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one (PubChem CID 135415817) has the molecular formula C5H6FN3O and a molecular weight of 143.12 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one
PubChem CID135415817
Molecular FormulaC5H6FN3O
Molecular Weight143.12 g/mol
Exact Mass143.05
IUPAC Name4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)c(F)c(=O)[nH]1
InChIInChI=1S/C5H6FN3O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H3,7,8,9,10)
InChIKeyWWWIWBPKQXVWBV-UHFFFAOYSA-N
XLogP-0.20
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one (CID 135415817) is 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one is Cc1nc(N)c(F)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WWWIWBPKQXVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O/c1-2-8-4(7)3(6)5(10)9-2/h1H3,(H3,7,8,9,10).
What are the key properties of 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one?
4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one has a molecular weight of 143.12 g/mol, XLogP of -0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135415817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).