4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol

C11H18N4O — CID 79822536

IUPAC4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCC(O)CC2)nc1N
InChIInChI=1S/C11H18N4O/c12-9-5-6-10(15-11(9)13)14-7-1-3-8(16)4-2-7/h5-8,16H,1-4,12H2,(H3,13,14,15)
InChIKeyYRRUKOIGIWWFRG-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.96
Rot. Bonds2

About 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol

4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 79822536) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID79822536
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCC(O)CC2)nc1N
InChIInChI=1S/C11H18N4O/c12-9-5-6-10(15-11(9)13)14-7-1-3-8(16)4-2-7/h5-8,16H,1-4,12H2,(H3,13,14,15)
InChIKeyYRRUKOIGIWWFRG-UHFFFAOYSA-N
XLogP0.96
TPSA97.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol (CID 79822536) is 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol is Nc1ccc(NC2CCC(O)CC2)nc1N.
What is the InChIKey of 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is YRRUKOIGIWWFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-5-6-10(15-11(9)13)14-7-1-3-8(16)4-2-7/h5-8,16H,1-4,12H2,(H3,13,14,15).
What are the key properties of 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79822536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).