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

C5H8FN3O — CID 118554429

IUPAC2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1N=C(N)NC(=O)C1F
InChIInChI=1S/C5H8FN3O/c1-2-3(6)4(10)9-5(7)8-2/h2-3H,1H3,(H3,7,8,9,10)
InChIKeyOKBNYBUUUUWDJD-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.84
Rot. Bonds

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

2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 118554429) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID118554429
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCC1N=C(N)NC(=O)C1F
InChIInChI=1S/C5H8FN3O/c1-2-3(6)4(10)9-5(7)8-2/h2-3H,1H3,(H3,7,8,9,10)
InChIKeyOKBNYBUUUUWDJD-UHFFFAOYSA-N
XLogP-0.84
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (CID 118554429) is 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is CC1N=C(N)NC(=O)C1F.
What is the InChIKey of 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is OKBNYBUUUUWDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-2-3(6)4(10)9-5(7)8-2/h2-3H,1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 145.14 g/mol, XLogP of -0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 118554429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).