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

C11H18N4O — CID 79827031

IUPAC2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)nc1N
InChIInChI=1S/C11H18N4O/c12-7-5-6-10(15-11(7)13)14-8-3-1-2-4-9(8)16/h5-6,8-9,16H,1-4,12H2,(H3,13,14,15)
InChIKeyKXUMJCWSHSKINZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.96
Rot. Bonds2

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

2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 79827031) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID79827031
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
SMILESNc1ccc(NC2CCCCC2O)nc1N
InChIInChI=1S/C11H18N4O/c12-7-5-6-10(15-11(7)13)14-8-3-1-2-4-9(8)16/h5-6,8-9,16H,1-4,12H2,(H3,13,14,15)
InChIKeyKXUMJCWSHSKINZ-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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Related Compounds

6-N-cyclohexylpyridine-2,3,6-triamine
CID 79823249
4-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79822536
6-N-(2,3-dimethylcyclopentyl)pyridine-2,3,6-triamine
CID 79827207
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 80826322
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
trans-(1S,2S)-2-[(5-bromo-2-pyridinyl)amino]cyclohexan-1-ol
CID 119031585
trans-(1R,2R)-2-(quinolin-2-ylamino)cyclopentan-1-ol
CID 99857876
6-[(2-hydroxycyclohexyl)amino]pyridine-2-carbothioamide
CID 64595865
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
CID 136544292
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80934405
3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
CID 133495324
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol (CID 79827031) is 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol is Nc1ccc(NC2CCCCC2O)nc1N.
What is the InChIKey of 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is KXUMJCWSHSKINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-7-5-6-10(15-11(7)13)14-8-3-1-2-4-9(8)16/h5-6,8-9,16H,1-4,12H2,(H3,13,14,15).
What are the key properties of 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol?
2-[(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 2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 79827031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).