(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol

C12H19N7O — CID 110129701

IUPAC(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
SMILESCN[C@@H]1CCC[C@@H](n2cnc3c(N)nc(N)nc32)[C@@H]1O
InChIInChI=1S/C12H19N7O/c1-15-6-3-2-4-7(9(6)20)19-5-16-8-10(13)17-12(14)18-11(8)19/h5-7,9,15,20H,2-4H2,1H3,(H4,13,14,17,18)/t6-,7-,9-/m1/s1
InChIKeyFZSPKXAKEXYVOF-ZXFLCMHBSA-N
MW277.33 g/mol
LogP-0.34
Rot. Bonds2

About (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol

(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol (PubChem CID 110129701) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
PubChem CID110129701
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
SMILESCN[C@@H]1CCC[C@@H](n2cnc3c(N)nc(N)nc32)[C@@H]1O
InChIInChI=1S/C12H19N7O/c1-15-6-3-2-4-7(9(6)20)19-5-16-8-10(13)17-12(14)18-11(8)19/h5-7,9,15,20H,2-4H2,1H3,(H4,13,14,17,18)/t6-,7-,9-/m1/s1
InChIKeyFZSPKXAKEXYVOF-ZXFLCMHBSA-N
XLogP-0.34
TPSA127.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol with MolForge

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Related Compounds

N-[(1R,2R,3R)-3-(2,6-diaminopurin-9-yl)-2-hydroxycyclohexyl]-4-[2-(dimethylamino)ethoxy]benzamide
CID 110154626
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
CID 21145493
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
(2S,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-methyloxolane-2,3-diol
CID 90352589
(3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-ethyloxolane-3,4-diol
CID 134240596
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
3-amino-1-[(3S,4S)-3-(2,6-diaminopurin-9-yl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 110154457
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
(2R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 67642663
(4R,5R)-2-(2,6-diaminopurin-9-yl)-4-methoxy-5-(methoxymethyl)oxolan-3-ol
CID 90346189

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol?
The IUPAC name of (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol (CID 110129701) is (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol is CN[C@@H]1CCC[C@@H](n2cnc3c(N)nc(N)nc32)[C@@H]1O.
What is the InChIKey of (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol?
The InChIKey is FZSPKXAKEXYVOF-ZXFLCMHBSA-N. The full InChI is InChI=1S/C12H19N7O/c1-15-6-3-2-4-7(9(6)20)19-5-16-8-10(13)17-12(14)18-11(8)19/h5-7,9,15,20H,2-4H2,1H3,(H4,13,14,17,18)/t6-,7-,9-/m1/s1.
What are the key properties of (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol?
(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol has a molecular weight of 277.33 g/mol, XLogP of -0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 110129701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).