1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol

C13H20N6O2 — CID 21145493

IUPAC1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
SMILESCC(O)C1CC(n2cnc3c(N)nc(N)nc32)C1C(C)O
InChIInChI=1S/C13H20N6O2/c1-5(20)7-3-8(9(7)6(2)21)19-4-16-10-11(14)17-13(15)18-12(10)19/h4-9,20-21H,3H2,1-2H3,(H4,14,15,17,18)
InChIKeyCJRMOSCNFXFQAW-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.07
Rot. Bonds3

About 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol

1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol (PubChem CID 21145493) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
PubChem CID21145493
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol
SMILESCC(O)C1CC(n2cnc3c(N)nc(N)nc32)C1C(C)O
InChIInChI=1S/C13H20N6O2/c1-5(20)7-3-8(9(7)6(2)21)19-4-16-10-11(14)17-13(15)18-12(10)19/h4-9,20-21H,3H2,1-2H3,(H4,14,15,17,18)
InChIKeyCJRMOSCNFXFQAW-UHFFFAOYSA-N
XLogP-0.07
TPSA136.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
(1R,2R,6R)-2-(2,6-diaminopurin-9-yl)-6-(methylamino)cyclohexan-1-ol
CID 110129701
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
(1S,4R)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-ol
CID 57488425
9-[(1R)-1-(methylamino)ethyl]purine-2,6-diamine
CID 146232455
1-[2-(2-amino-6-chloropurin-9-yl)-4-(hydroxymethyl)cyclobutyl]propan-1-ol
CID 88503264
[(1R,4S)-4-(2,6-diaminopurin-9-yl)cyclopent-2-en-1-yl]methanol
CID 10243640
9-N-amino-9-N-(methylamino)purine-2,6,9-triamine
CID 170001265
9-(1-aminoethyl)purine-2,6-diamine
CID 166965678
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
3-amino-1-[(3S,4S)-3-(2,6-diaminopurin-9-yl)-4-hydroxypyrrolidin-1-yl]propan-1-one
CID 110154457
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol?
The IUPAC name of 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol (CID 21145493) is 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol.
What is the SMILES notation for 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol?
The canonical SMILES for 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol is CC(O)C1CC(n2cnc3c(N)nc(N)nc32)C1C(C)O.
What is the InChIKey of 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol?
The InChIKey is CJRMOSCNFXFQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-5(20)7-3-8(9(7)6(2)21)19-4-16-10-11(14)17-13(15)18-12(10)19/h4-9,20-21H,3H2,1-2H3,(H4,14,15,17,18).
What are the key properties of 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol?
1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol has a molecular weight of 292.34 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,6-diaminopurin-9-yl)-2-(1-hydroxyethyl)cyclobutyl]ethanol is sourced from PubChem (CID 21145493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).