2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol

C7H12N6O3 — CID 80943199

IUPAC2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C7H12N6O3/c1-12(2-3-14)7-5(13(15)16)6(11-8)9-4-10-7/h4,14H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyVSQOZOYTHKGHCV-UHFFFAOYSA-N
MW228.21 g/mol
LogP-0.90
Rot. Bonds5

About 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol

2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol (PubChem CID 80943199) has the molecular formula C7H12N6O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
PubChem CID80943199
Molecular FormulaC7H12N6O3
Molecular Weight228.21 g/mol
Exact Mass228.10
IUPAC Name2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C7H12N6O3/c1-12(2-3-14)7-5(13(15)16)6(11-8)9-4-10-7/h4,14H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyVSQOZOYTHKGHCV-UHFFFAOYSA-N
XLogP-0.90
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 51045406
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80905174
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929408
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80898186
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80898821
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899819
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol?
The IUPAC name of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol (CID 80943199) is 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol is CN(CCO)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol?
The InChIKey is VSQOZOYTHKGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O3/c1-12(2-3-14)7-5(13(15)16)6(11-8)9-4-10-7/h4,14H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol?
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol has a molecular weight of 228.21 g/mol, XLogP of -0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol is sourced from PubChem (CID 80943199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).