4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol

C10H17N5O — CID 80932479

IUPAC4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1nccc(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H17N5O/c11-15-10-12-6-5-9(14-10)13-7-1-3-8(16)4-2-7/h5-8,16H,1-4,11H2,(H2,12,13,14,15)
InChIKeyJSGRBUSVCNUPFL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.48
Rot. Bonds3

About 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol

4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 80932479) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID80932479
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESNNc1nccc(NC2CCC(O)CC2)n1
InChIInChI=1S/C10H17N5O/c11-15-10-12-6-5-9(14-10)13-7-1-3-8(16)4-2-7/h5-8,16H,1-4,11H2,(H2,12,13,14,15)
InChIKeyJSGRBUSVCNUPFL-UHFFFAOYSA-N
XLogP0.48
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 80932479) is 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is NNc1nccc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is JSGRBUSVCNUPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-15-10-12-6-5-9(14-10)13-7-1-3-8(16)4-2-7/h5-8,16H,1-4,11H2,(H2,12,13,14,15).
What are the key properties of 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 223.28 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 80932479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).