1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione

C8H12FN3O2 — CID 104523280

IUPAC1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(CN)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12FN3O2/c1-8(2,4-10)12-3-5(9)6(13)11-7(12)14/h3H,4,10H2,1-2H3,(H,11,13,14)
InChIKeyMIMQELQCTDQTOD-UHFFFAOYSA-N
MW201.20 g/mol
LogP-0.63
Rot. Bonds2

About 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione

1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione (PubChem CID 104523280) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione
PubChem CID104523280
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(CN)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H12FN3O2/c1-8(2,4-10)12-3-5(9)6(13)11-7(12)14/h3H,4,10H2,1-2H3,(H,11,13,14)
InChIKeyMIMQELQCTDQTOD-UHFFFAOYSA-N
XLogP-0.63
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione 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 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione (CID 104523280) is 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione is CC(C)(CN)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is MIMQELQCTDQTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-8(2,4-10)12-3-5(9)6(13)11-7(12)14/h3H,4,10H2,1-2H3,(H,11,13,14).
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione?
1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 201.20 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 104523280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).