[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

C12H20N6O3 — CID 103968805

IUPAC[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNNc1ncnc(NCC2(CO)CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N6O3/c13-17-11-9(18(20)21)10(15-8-16-11)14-6-12(7-19)4-2-1-3-5-12/h8,19H,1-7,13H2,(H2,14,15,16,17)
InChIKeyHZNOTCSMUBIAPD-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.03
Rot. Bonds6

About [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol

[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103968805) has the molecular formula C12H20N6O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103968805
Molecular FormulaC12H20N6O3
Molecular Weight296.33 g/mol
Exact Mass296.16
IUPAC Name[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
SMILESNNc1ncnc(NCC2(CO)CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C12H20N6O3/c13-17-11-9(18(20)21)10(15-8-16-11)14-6-12(7-19)4-2-1-3-5-12/h8,19H,1-7,13H2,(H2,14,15,16,17)
InChIKeyHZNOTCSMUBIAPD-UHFFFAOYSA-N
XLogP1.03
TPSA139.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.03
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'}

Analyze [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

3-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 114143806
1-[[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]cycloheptan-1-ol
CID 78992994
[1-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457329
[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80832991
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
[1-[[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968693
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80910265
6-N-methyl-4-N-[(1-methylsulfanylcyclobutyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 107268707
[1-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360733
[1-[[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366342

Frequently Asked Questions

What is the IUPAC name of [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol (CID 103968805) is [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is NNc1ncnc(NCC2(CO)CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is HZNOTCSMUBIAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O3/c13-17-11-9(18(20)21)10(15-8-16-11)14-6-12(7-19)4-2-1-3-5-12/h8,19H,1-7,13H2,(H2,14,15,16,17).
What are the key properties of [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 296.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103968805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).