5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione

C8H12FN3O2 — CID 81107082

IUPAC5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CCCF)c1=O
InChIInChI=1S/C8H12FN3O2/c1-11-5-6(10)7(13)12(8(11)14)4-2-3-9/h5H,2-4,10H2,1H3
InChIKeyARCCDBYZHTUBAQ-UHFFFAOYSA-N
MW201.20 g/mol
LogP-0.51
Rot. Bonds3

About 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione

5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione (PubChem CID 81107082) has the molecular formula C8H12FN3O2 and a molecular weight of 201.20 g/mol. Its IUPAC name is 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione
PubChem CID81107082
Molecular FormulaC8H12FN3O2
Molecular Weight201.20 g/mol
Exact Mass201.09
IUPAC Name5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(N)c(=O)n(CCCF)c1=O
InChIInChI=1S/C8H12FN3O2/c1-11-5-6(10)7(13)12(8(11)14)4-2-3-9/h5H,2-4,10H2,1H3
InChIKeyARCCDBYZHTUBAQ-UHFFFAOYSA-N
XLogP-0.51
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-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 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione (CID 81107082) is 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione is Cn1cc(N)c(=O)n(CCCF)c1=O.
What is the InChIKey of 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is ARCCDBYZHTUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O2/c1-11-5-6(10)7(13)12(8(11)14)4-2-3-9/h5H,2-4,10H2,1H3.
What are the key properties of 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione?
5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 201.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-fluoropropyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 81107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).