1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol

C13H20N6O — CID 114785448

IUPAC1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(NCC2(O)CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-14-12-18-10(9-11(19-12)17-8-16-9)15-7-13(20)5-3-2-4-6-13/h8,20H,2-7H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyZNDYPJDZLJMFGF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.50
Rot. Bonds4

About 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol

1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 114785448) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
PubChem CID114785448
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(NCC2(O)CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-14-12-18-10(9-11(19-12)17-8-16-9)15-7-13(20)5-3-2-4-6-13/h8,20H,2-7H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyZNDYPJDZLJMFGF-UHFFFAOYSA-N
XLogP1.50
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
1-[[(2-chloro-7H-purin-6-yl)amino]methyl]cyclopentan-1-ol
CID 104697738
2-N-methyl-6-N-[(2-methyloxolan-2-yl)methyl]-7H-purine-2,6-diamine
CID 114785663
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
2-N-methyl-6-N-(thian-2-ylmethyl)-7H-purine-2,6-diamine
CID 114785710
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
CID 114785004
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclopentyl]methanol
CID 114784996
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol (CID 114785448) is 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol is CNc1nc(NCC2(O)CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is ZNDYPJDZLJMFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-14-12-18-10(9-11(19-12)17-8-16-9)15-7-13(20)5-3-2-4-6-13/h8,20H,2-7H2,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol?
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114785448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).