[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate

C11H13FN4O5 — CID 70791160

IUPAC[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate
SMILES[H]/N=N/C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1F
InChIInChI=1S/C11H13FN4O5/c1-5-3-16(10(18)14-9(5)17)8-2-6(12)7(21-8)4-20-11(19)15-13/h3,6-8,13H,2,4H2,1H3,(H,14,17,18)/b15-13+/t6?,7-,8-/m1/s1
InChIKeyUVACXGOUFAFWBV-YODNMFNISA-N
MW300.25 g/mol
LogP0.64
Rot. Bonds3

About [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate

[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate (PubChem CID 70791160) has the molecular formula C11H13FN4O5 and a molecular weight of 300.25 g/mol. Its IUPAC name is [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate.

Molecular Properties

Compound Name[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate
PubChem CID70791160
Molecular FormulaC11H13FN4O5
Molecular Weight300.25 g/mol
Exact Mass300.09
IUPAC Name[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate
SMILES[H]/N=N/C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1F
InChIInChI=1S/C11H13FN4O5/c1-5-3-16(10(18)14-9(5)17)8-2-6(12)7(21-8)4-20-11(19)15-13/h3,6-8,13H,2,4H2,1H3,(H,14,17,18)/b15-13+/t6?,7-,8-/m1/s1
InChIKeyUVACXGOUFAFWBV-YODNMFNISA-N
XLogP0.64
TPSA126.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate 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

[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 57496821
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10882581
1-[(4R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 134356951
ethenyl-[[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 5274137
[3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methanesulfonate
CID 14828088
1-[(4S,5S)-4-fluoro-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174066539
1-[(2R,4S)-4-fluoro-5-(sulfanylmethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90996877
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14188749
[(2R,3S,5R)-5-[2,4-dioxo-5-(trideuteriomethyl)pyrimidin-1-yl]-3-fluorooxolan-2-yl]methyl dihydrogen phosphate
CID 71315470
[(2R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-aminoacetate
CID 90424481
[(2R,3S,5R)-3-fluoro-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 18648376
[(3S)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70812678

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate?
The IUPAC name of [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate (CID 70791160) is [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate.
What is the SMILES notation for [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate?
The canonical SMILES for [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate is [H]/N=N/C(=O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)CC1F.
What is the InChIKey of [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate?
The InChIKey is UVACXGOUFAFWBV-YODNMFNISA-N. The full InChI is InChI=1S/C11H13FN4O5/c1-5-3-16(10(18)14-9(5)17)8-2-6(12)7(21-8)4-20-11(19)15-13/h3,6-8,13H,2,4H2,1H3,(H,14,17,18)/b15-13+/t6?,7-,8-/m1/s1.
What are the key properties of [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate?
[(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate has a molecular weight of 300.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl N-iminocarbamate is sourced from PubChem (CID 70791160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).