1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C13H21N3O2 — CID 65102710

IUPAC1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCCCC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-18-12-10(14)5-6-11(16-12)15-9-13(17)7-3-2-4-8-13/h5-6,17H,2-4,7-9,14H2,1H3,(H,15,16)
InChIKeyORZGJAWYSOEYIN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.78
Rot. Bonds4

About 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol

1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65102710) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID65102710
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCCCC2)ccc1N
InChIInChI=1S/C13H21N3O2/c1-18-12-10(14)5-6-11(16-12)15-9-13(17)7-3-2-4-8-13/h5-6,17H,2-4,7-9,14H2,1H3,(H,15,16)
InChIKeyORZGJAWYSOEYIN-UHFFFAOYSA-N
XLogP1.78
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 65123093
6-methoxy-2-N-[(1-methylcyclopentyl)methyl]pyridine-2,5-diamine
CID 55259668
2-N-[(1-ethylcyclopentyl)methyl]-6-methoxypyridine-2,5-diamine
CID 114124645
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
6-methoxy-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 43261292
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
6-methoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261093
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 65102710) is 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol is COc1nc(NCC2(O)CCCCC2)ccc1N.
What is the InChIKey of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ORZGJAWYSOEYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-12-10(14)5-6-11(16-12)15-9-13(17)7-3-2-4-8-13/h5-6,17H,2-4,7-9,14H2,1H3,(H,15,16).
What are the key properties of 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-amino-6-methoxy-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65102710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).