3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol

C9H14N6O4 — CID 114143806

IUPAC3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESNNc1ncnc(NCC2(O)CCOC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N6O4/c10-14-8-6(15(17)18)7(12-5-13-8)11-3-9(16)1-2-19-4-9/h5,16H,1-4,10H2,(H2,11,12,13,14)
InChIKeyXNGNLIULTPJDCN-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.77
Rot. Bonds5

About 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol

3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol (PubChem CID 114143806) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
PubChem CID114143806
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
SMILESNNc1ncnc(NCC2(O)CCOC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H14N6O4/c10-14-8-6(15(17)18)7(12-5-13-8)11-3-9(16)1-2-19-4-9/h5,16H,1-4,10H2,(H2,11,12,13,14)
InChIKeyXNGNLIULTPJDCN-UHFFFAOYSA-N
XLogP-0.77
TPSA148.46 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol with MolForge

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Related Compounds

[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968805
3-[[(2-chloro-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143702
1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 78992994
3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]oxolan-3-ol
CID 106102152
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
3-[[(5-amino-6-ethoxypyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106099400
3-[[(5-chloropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 102975946
3-[(2-amino-4-nitroanilino)methyl]oxolan-3-ol
CID 106099393
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
3-[(3-nitroanilino)methyl]oxolan-3-ol
CID 113337719
3-[(2,6-difluoro-4-nitroanilino)methyl]oxolan-3-ol
CID 103847690
3-[(2,6-dichloro-4-nitroanilino)methyl]oxolan-3-ol
CID 104918033

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol (CID 114143806) is 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol is NNc1ncnc(NCC2(O)CCOC2)c1[N+](=O)[O-].
What is the InChIKey of 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
The InChIKey is XNGNLIULTPJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c10-14-8-6(15(17)18)7(12-5-13-8)11-3-9(16)1-2-19-4-9/h5,16H,1-4,10H2,(H2,11,12,13,14).
What are the key properties of 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol?
3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol has a molecular weight of 270.25 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol is sourced from PubChem (CID 114143806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).