3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea

C9H13FN4O4 — CID 112601607

IUPAC3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN4O4/c1-13(2)8(17)11-3-4-14-7(16)5(10)6(15)12-9(14)18/h16H,3-4H2,1-2H3,(H,11,17)(H,12,15,18)
InChIKeyCBAOIZJJQVEVGE-UHFFFAOYSA-N
MW260.22 g/mol
LogP-1.35
Rot. Bonds3

About 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea

3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea (PubChem CID 112601607) has the molecular formula C9H13FN4O4 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
PubChem CID112601607
Molecular FormulaC9H13FN4O4
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H13FN4O4/c1-13(2)8(17)11-3-4-14-7(16)5(10)6(15)12-9(14)18/h16H,3-4H2,1-2H3,(H,11,17)(H,12,15,18)
InChIKeyCBAOIZJJQVEVGE-UHFFFAOYSA-N
XLogP-1.35
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea 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

3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688
N-butyl-6-hydroxy-2,4-dioxo-1-propylpyrimidine-5-carboxamide
CID 66522821
3-[2-(4-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethyl]-1,1-dimethylurea
CID 83114777
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112672331

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea (CID 112601607) is 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
The InChIKey is CBAOIZJJQVEVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O4/c1-13(2)8(17)11-3-4-14-7(16)5(10)6(15)12-9(14)18/h16H,3-4H2,1-2H3,(H,11,17)(H,12,15,18).
What are the key properties of 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea?
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea has a molecular weight of 260.22 g/mol, XLogP of -1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea is sourced from PubChem (CID 112601607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).