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

C10H15F2N3O3 — CID 104857575

IUPAC5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCC(F)(F)CO)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F2N3O3/c1-14-4-7(8(17)15(2)9(14)18)3-13-5-10(11,12)6-16/h4,13,16H,3,5-6H2,1-2H3
InChIKeyVNFKQKGWBCIWJM-UHFFFAOYSA-N
MW263.24 g/mol
LogP-1.20
Rot. Bonds5

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

5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 104857575) has the molecular formula C10H15F2N3O3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID104857575
Molecular FormulaC10H15F2N3O3
Molecular Weight263.24 g/mol
Exact Mass263.11
IUPAC Name5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNCC(F)(F)CO)c(=O)n(C)c1=O
InChIInChI=1S/C10H15F2N3O3/c1-14-4-7(8(17)15(2)9(14)18)3-13-5-10(11,12)6-16/h4,13,16H,3,5-6H2,1-2H3
InChIKeyVNFKQKGWBCIWJM-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-[[(2,2-difluoro-3-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

Related Compounds

Uracil, 5-((bis(2-fluoroethyl)amino)methyl)-, monohydrochloride
CID 204601
N'-(3-hydroxypropyl)-5-fluorouracil
CID 129860622
1-(3-Hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CID 14449531
5-Methyl-1-(2,2,3,3-tetrafluoro-4-hydroxy-butyl)pyrimidine-2,4-dione
CID 129908909
1-(2-Fluoro-3-hydroxypropyl)-5-methylpyrimidine-2,4-dione
CID 15006316
1-(3-Hydroxy-propyl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione
CID 58994207
1-(4-Hydroxy-butyl)-5-trifluoromethyl-1H-pyrimidine-2,4-dione
CID 58994224
2,2,2-trifluoro-N-[[1-[[(2S)-1-hydroxybutan-2-yl]oxymethyl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
CID 89176436
5-fluoro-3-(1-hydroxypropyl)-1H-pyrimidine-2,4-dione
CID 141288156
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 144718986
5-[[bis(2-fluoroethyl)amino]methyl]-1H-pyrimidine-2,4-dione
CID 204602
1,3-Dimethyl-5-[(2,2,2-trifluoroethylamino)methyl]pyrimidine-2,4-dione
CID 28608755

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 104857575) is 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNCC(F)(F)CO)c(=O)n(C)c1=O.
What is the InChIKey of 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is VNFKQKGWBCIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3/c1-14-4-7(8(17)15(2)9(14)18)3-13-5-10(11,12)6-16/h4,13,16H,3,5-6H2,1-2H3.
What are the key properties of 5-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(2,2-difluoro-3-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-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 104857575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).