2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol

C11H11FN6O4 — CID 127243602

IUPAC2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2ncc(F)c(NCCO)n2)o1
InChIInChI=1S/C11H11FN6O4/c12-8-6-14-11(16-10(8)13-3-4-19)17-15-5-7-1-2-9(22-7)18(20)21/h1-2,5-6,19H,3-4H2,(H2,13,14,16,17)/b15-5+
InChIKeyYMWRHIGEBITBCP-PJQLUOCWSA-N
MW310.25 g/mol
LogP0.97
Rot. Bonds7

About 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol

2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol (PubChem CID 127243602) has the molecular formula C11H11FN6O4 and a molecular weight of 310.25 g/mol. Its IUPAC name is 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol
PubChem CID127243602
Molecular FormulaC11H11FN6O4
Molecular Weight310.25 g/mol
Exact Mass310.08
IUPAC Name2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol
SMILESO=[N+]([O-])c1ccc(/C=N/Nc2ncc(F)c(NCCO)n2)o1
InChIInChI=1S/C11H11FN6O4/c12-8-6-14-11(16-10(8)13-3-4-19)17-15-5-7-1-2-9(22-7)18(20)21/h1-2,5-6,19H,3-4H2,(H2,13,14,16,17)/b15-5+
InChIKeyYMWRHIGEBITBCP-PJQLUOCWSA-N
XLogP0.97
TPSA138.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

ethyl 3-[[4-amino-6-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]amino]propanoate
CID 25242760
N-[(5-nitrofuran-2-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4055851
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoate
CID 7441988
6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 6299832
6-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 87413708
2-[[2-[4-[[5-bromo-4-(2-hydroxyethylsulfanyl)pyrimidin-2-yl]amino]anilino]-5-fluoropyrimidin-4-yl]amino]ethanol
CID 143697315
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
CID 3584414
N-[(5-nitrofuran-2-yl)methylideneamino]-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 86664230
7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
CID 4083692
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090

Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol (CID 127243602) is 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol is O=[N+]([O-])c1ccc(/C=N/Nc2ncc(F)c(NCCO)n2)o1.
What is the InChIKey of 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is YMWRHIGEBITBCP-PJQLUOCWSA-N. The full InChI is InChI=1S/C11H11FN6O4/c12-8-6-14-11(16-10(8)13-3-4-19)17-15-5-7-1-2-9(22-7)18(20)21/h1-2,5-6,19H,3-4H2,(H2,13,14,16,17)/b15-5+.
What are the key properties of 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol?
2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 310.25 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 127243602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).