5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C10H15F2N3O3 — CID 113250649

IUPAC5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCC(O)C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F2N3O3/c1-14-5-6(9(17)15(2)10(14)18)3-13-4-7(16)8(11)12/h5,7-8,13,16H,3-4H2,1-2H3
InChIKeyAYQIMGZBHPSSSZ-UHFFFAOYSA-N
MW263.24 g/mol
LogP-1.20
Rot. Bonds5

About 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 113250649) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID113250649
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCC(O)C(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F2N3O3/c1-14-5-6(9(17)15(2)10(14)18)3-13-4-7(16)8(11)12/h5,7-8,13,16H,3-4H2,1-2H3
InChIKeyAYQIMGZBHPSSSZ-UHFFFAOYSA-N
XLogP-1.20
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-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-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 113250649) is 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCC(O)C(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AYQIMGZBHPSSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-14-5-6(9(17)15(2)10(14)18)3-13-4-7(16)8(11)12/h5,7-8,13,16H,3-4H2,1-2H3.
What are the key properties of 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 263.24 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 113250649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).