[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol

C14H22N6O — CID 114785004

IUPAC[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
SMILESCCNc1nc(NC2(CO)CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6O/c1-2-15-13-18-11-10(16-9-17-11)12(19-13)20-14(8-21)6-4-3-5-7-14/h9,21H,2-8H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyIIGWKEUJZSAPGZ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.89
Rot. Bonds5

About [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol

[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol (PubChem CID 114785004) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
PubChem CID114785004
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol
SMILESCCNc1nc(NC2(CO)CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C14H22N6O/c1-2-15-13-18-11-10(16-9-17-11)12(19-13)20-14(8-21)6-4-3-5-7-14/h9,21H,2-8H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyIIGWKEUJZSAPGZ-UHFFFAOYSA-N
XLogP1.89
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclopentyl]methanol
CID 114784996
6-N-(1-methylcyclopentyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114785405
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
(2S)-2-[[2-(ethylamino)-7H-purin-6-yl]amino]-3-methylbutan-1-ol
CID 114986392
3-ethyl-1-[[2-(ethylamino)-7H-purin-6-yl]amino]pentan-2-ol
CID 106288919
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
[1-[[2-(ethylamino)pyrimidin-4-yl]amino]cyclohexyl]methanol
CID 80833509

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol?
The IUPAC name of [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol (CID 114785004) is [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol is CCNc1nc(NC2(CO)CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol?
The InChIKey is IIGWKEUJZSAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-15-13-18-11-10(16-9-17-11)12(19-13)20-14(8-21)6-4-3-5-7-14/h9,21H,2-8H2,1H3,(H3,15,16,17,18,19,20).
What are the key properties of [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol?
[1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol has a molecular weight of 290.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(ethylamino)-7H-purin-6-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 114785004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).