(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one

C5H8FN3O2 — CID 146014533

IUPAC(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one
SMILES[H]/N=C1\NC(=O)N(C)[C@H](O)[C@H]1F
InChIInChI=1S/C5H8FN3O2/c1-9-4(10)2(6)3(7)8-5(9)11/h2,4,10H,1H3,(H2,7,8,11)/t2-,4+/m0/s1
InChIKeyGFTUZOVINMHQDL-ZAFYKAAXSA-N
MW161.14 g/mol
LogP-0.72
Rot. Bonds

About (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one

(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one (PubChem CID 146014533) has the molecular formula C5H8FN3O2 and a molecular weight of 161.14 g/mol. Its IUPAC name is (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one
PubChem CID146014533
Molecular FormulaC5H8FN3O2
Molecular Weight161.14 g/mol
Exact Mass161.06
IUPAC Name(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one
SMILES[H]/N=C1\NC(=O)N(C)[C@H](O)[C@H]1F
InChIInChI=1S/C5H8FN3O2/c1-9-4(10)2(6)3(7)8-5(9)11/h2,4,10H,1H3,(H2,7,8,11)/t2-,4+/m0/s1
InChIKeyGFTUZOVINMHQDL-ZAFYKAAXSA-N
XLogP-0.72
TPSA76.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one 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

5-(3,5-dichlorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388440
4-imino-1-methyl-5-(2-methylpropyl)imidazolidin-2-one
CID 138388889
5-(2,3-difluorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388629
5-(3-hydroxyphenyl)-4-imino-1-methylimidazolidin-2-one
CID 138389616
5-(4-tert-butylphenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388421
(5S,6R)-5,6-dihydroxy-1-methyl-1,3-diazinane-2,4-dione
CID 131118895
N-ethyl-2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetamide
CID 138388887
ethyl 2-(5-imino-3-methyl-2-oxoimidazolidin-4-yl)acetate
CID 138389169
4-imino-1-methyl-5-naphthalen-1-ylimidazolidin-2-one
CID 138388242
4-imino-1-methyl-5-pentan-2-ylimidazolidin-2-one
CID 138388448
4-imino-1-methyl-5-(2-phenylethyl)imidazolidin-2-one
CID 138388630
(5S)-5-hydroxy-1-methylimidazolidine-2,4-dione
CID 10057538

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one?
The IUPAC name of (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one (CID 146014533) is (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one.
What is the SMILES notation for (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one?
The canonical SMILES for (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one is [H]/N=C1\NC(=O)N(C)[C@H](O)[C@H]1F.
What is the InChIKey of (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one?
The InChIKey is GFTUZOVINMHQDL-ZAFYKAAXSA-N. The full InChI is InChI=1S/C5H8FN3O2/c1-9-4(10)2(6)3(7)8-5(9)11/h2,4,10H,1H3,(H2,7,8,11)/t2-,4+/m0/s1.
What are the key properties of (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one?
(5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one has a molecular weight of 161.14 g/mol, XLogP of -0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-fluoro-6-hydroxy-4-imino-1-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 146014533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).