3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H18N6O3 — CID 106138799

IUPAC3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNNc1ncc([N+](=O)[O-])c(NCC2CCCC(O)C2)n1
InChIInChI=1S/C11H18N6O3/c12-16-11-14-6-9(17(19)20)10(15-11)13-5-7-2-1-3-8(18)4-7/h6-8,18H,1-5,12H2,(H2,13,14,15,16)
InChIKeyAWEBFKZMURVJHX-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.63
Rot. Bonds5

About 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106138799) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106138799
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNNc1ncc([N+](=O)[O-])c(NCC2CCCC(O)C2)n1
InChIInChI=1S/C11H18N6O3/c12-16-11-14-6-9(17(19)20)10(15-11)13-5-7-2-1-3-8(18)4-7/h6-8,18H,1-5,12H2,(H2,13,14,15,16)
InChIKeyAWEBFKZMURVJHX-UHFFFAOYSA-N
XLogP0.63
TPSA139.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.63
H-Bond Donors ≤ 54
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-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
2-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 106026114
4-[[(2-amino-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138501
2-[(3-hydroxycyclohexyl)methylamino]-5-nitropyridine-4-carboxylic acid
CID 106136562
cis-(1R,3R)-3-[[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 59845667
3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138786
2-[[4-[(4-aminocyclohexyl)methylamino]-5-nitropyrimidin-2-yl]amino]-1-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 59845661
2-chloro-N-(cyclohexylmethyl)-5-nitropyrimidin-4-amine
CID 86691694
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
3-[[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclopentan-1-ol
CID 106138108
4-N-[[3-(aminomethyl)cyclohexyl]methyl]-2-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-2,4-diamine;2-N-[(2-chlorophenyl)methyl]-4-N-[[4-[(dimethylamino)methyl]cyclohexyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 159943213

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106138799) is 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is NNc1ncc([N+](=O)[O-])c(NCC2CCCC(O)C2)n1.
What is the InChIKey of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is AWEBFKZMURVJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c12-16-11-14-6-9(17(19)20)10(15-11)13-5-7-2-1-3-8(18)4-7/h6-8,18H,1-5,12H2,(H2,13,14,15,16).
What are the key properties of 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 282.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).