[5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol

C12H15N5O2 — CID 143717497

IUPAC[5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol
SMILESC#CC1CC(CO)OC1n1cnc2c1NC(N)=NC2
InChIInChI=1S/C12H15N5O2/c1-2-7-3-8(5-18)19-11(7)17-6-15-9-4-14-12(13)16-10(9)17/h1,6-8,11,18H,3-5H2,(H3,13,14,16)
InChIKeyPILHKGSYGISQQA-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.35
Rot. Bonds2

About [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol

[5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol (PubChem CID 143717497) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol
PubChem CID143717497
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name[5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol
SMILESC#CC1CC(CO)OC1n1cnc2c1NC(N)=NC2
InChIInChI=1S/C12H15N5O2/c1-2-7-3-8(5-18)19-11(7)17-6-15-9-4-14-12(13)16-10(9)17/h1,6-8,11,18H,3-5H2,(H3,13,14,16)
InChIKeyPILHKGSYGISQQA-UHFFFAOYSA-N
XLogP-0.35
TPSA97.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[3-ethynyl-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 145393133
[5-(2-bromo-6-pyrrolidin-1-ylpurin-9-yl)-4-ethynyloxolan-2-yl]methanol
CID 145444487
[(4R)-5-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-ethynyloxolan-2-yl]methanol
CID 143731872
(2R,3R,5S)-2-(4-amino-5-ethynylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 138579625
(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 13160027
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
[5-(2,6-diamino-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
CID 59986347
(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile
CID 143888898
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
2-amino-9-[(2R,3R,4S,5S)-4-(aminomethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6-dihydropurin-6-ol
CID 126586822

Frequently Asked Questions

What is the IUPAC name of [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol?
The IUPAC name of [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol (CID 143717497) is [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol.
What is the SMILES notation for [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol?
The canonical SMILES for [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol is C#CC1CC(CO)OC1n1cnc2c1NC(N)=NC2.
What is the InChIKey of [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol?
The InChIKey is PILHKGSYGISQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-7-3-8(5-18)19-11(7)17-6-15-9-4-14-12(13)16-10(9)17/h1,6-8,11,18H,3-5H2,(H3,13,14,16).
What are the key properties of [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol?
[5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol has a molecular weight of 261.28 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-amino-3,6-dihydropurin-9-yl)-4-ethynyloxolan-2-yl]methanol is sourced from PubChem (CID 143717497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).