N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine

C11H12FN7O — CID 91558444

IUPACN-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine
SMILESNNc1ncc(F)c(Nc2ccc3c(n2)NCCO3)n1
InChIInChI=1S/C11H12FN7O/c12-6-5-15-11(19-13)18-9(6)16-8-2-1-7-10(17-8)14-3-4-20-7/h1-2,5H,3-4,13H2,(H3,14,15,16,17,18,19)
InChIKeyYRAOVHVMAKSSCI-UHFFFAOYSA-N
MW277.26 g/mol
LogP0.84
Rot. Bonds3

About N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine

N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine (PubChem CID 91558444) has the molecular formula C11H12FN7O and a molecular weight of 277.26 g/mol. Its IUPAC name is N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine
PubChem CID91558444
Molecular FormulaC11H12FN7O
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC NameN-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine
SMILESNNc1ncc(F)c(Nc2ccc3c(n2)NCCO3)n1
InChIInChI=1S/C11H12FN7O/c12-6-5-15-11(19-13)18-9(6)16-8-2-1-7-10(17-8)14-3-4-20-7/h1-2,5H,3-4,13H2,(H3,14,15,16,17,18,19)
InChIKeyYRAOVHVMAKSSCI-UHFFFAOYSA-N
XLogP0.84
TPSA110.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine 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

4-N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)-2-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 59405748
N-(2,3-dihydro-1H-inden-5-yl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80926308
6-[[5-fluoro-2-[[6-[1-[(2R)-oxolan-2-yl]ethylamino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67437051
6-[[5-fluoro-2-[[6-[1-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]amino]pyrimidin-4-yl]amino]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67437570
7-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]spiro[2,5-dihydropyrido[3,2-b][1,4]oxazepine-3,1'-cyclopropane]-4-one
CID 123665831
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 115479600
N-(2-chloro-5-fluorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 107531935
2-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,1-dimethylhydrazine
CID 83026990
N-cyclopropyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80931605
3-bromo-4-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 114002302
4-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80747835
N-(3,5-dichlorophenyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80927122

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine?
The IUPAC name of N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine (CID 91558444) is N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine.
What is the SMILES notation for N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine?
The canonical SMILES for N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine is NNc1ncc(F)c(Nc2ccc3c(n2)NCCO3)n1.
What is the InChIKey of N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine?
The InChIKey is YRAOVHVMAKSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN7O/c12-6-5-15-11(19-13)18-9(6)16-8-2-1-7-10(17-8)14-3-4-20-7/h1-2,5H,3-4,13H2,(H3,14,15,16,17,18,19).
What are the key properties of N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine?
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine has a molecular weight of 277.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-amine is sourced from PubChem (CID 91558444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).