4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one

C5H8FN3O — CID 149159804

IUPAC4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one
SMILESCN1C(=O)NC=C(F)C1N
InChIInChI=1S/C5H8FN3O/c1-9-4(7)3(6)2-8-5(9)10/h2,4H,7H2,1H3,(H,8,10)
InChIKeyCHYQETQAVQDFGQ-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.26
Rot. Bonds

About 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one

4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one (PubChem CID 149159804) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one
PubChem CID149159804
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one
SMILESCN1C(=O)NC=C(F)C1N
InChIInChI=1S/C5H8FN3O/c1-9-4(7)3(6)2-8-5(9)10/h2,4H,7H2,1H3,(H,8,10)
InChIKeyCHYQETQAVQDFGQ-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

Analyze 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one (CID 149159804) is 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one is CN1C(=O)NC=C(F)C1N.
What is the InChIKey of 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one?
The InChIKey is CHYQETQAVQDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-9-4(7)3(6)2-8-5(9)10/h2,4H,7H2,1H3,(H,8,10).
What are the key properties of 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one?
4-amino-5-fluoro-3-methyl-1,4-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 4-amino-5-fluoro-3-methyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 149159804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).