3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol

C8H13N5O2 — CID 15957685

IUPAC3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol
SMILESNC1=NCN(CC(O)CO)c2nc[nH]c21
InChIInChI=1S/C8H13N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3,5,14-15H,1-2,4H2,(H2,9,12)(H,10,11)
InChIKeyFEGVNQPQZBMTFJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.75
Rot. Bonds3

About 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol

3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol (PubChem CID 15957685) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol
PubChem CID15957685
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol
SMILESNC1=NCN(CC(O)CO)c2nc[nH]c21
InChIInChI=1S/C8H13N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3,5,14-15H,1-2,4H2,(H2,9,12)(H,10,11)
InChIKeyFEGVNQPQZBMTFJ-UHFFFAOYSA-N
XLogP-1.75
TPSA110.76 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-amino-8-(4-propylpiperazin-1-yl)-3H-purin-3-yl)propane-1,2-diol
CID 135427580
3-(6-Amino-8-morpholin-4-yl-purin-3-yl)-propane-1,2-diol
CID 135406313
3-Isoadenosine
CID 135456222
(2S)-4-(2-amino-1,6-dihydropurin-9-yl)butane-1,2-diol
CID 512274
(RS)-9-(2,3-Dihydroxypropyl)-6-mercaptopurine
CID 15957683
3-[6-Amino-3-(3-hydroxypropyl)-2,7-dihydropurin-2-yl]propan-1-ol
CID 44316037
[(2S)-1-(6-amino-6,7-dihydropurin-1-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 44591299
(3R,4S,5R)-2-(6-amino-2,7-dihydropurin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 46877014
3-[(2S)-6-amino-3-(3-hydroxypropyl)-2,7-dihydropurin-2-yl]propan-1-ol
CID 76313406
3-(1-Hydroxy-6-iminopurin-9-yl)propane-1,2-diol
CID 90674753
[(2S,5R)-5-(6-aminopurin-3-yl)tetrahydrofuran-2-yl]methanol
CID 135521876
3-(6-Amino-2,3-dihydropurin-9-yl)propane-1,2-diol
CID 136114643

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol?
The IUPAC name of 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol (CID 15957685) is 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol is NC1=NCN(CC(O)CO)c2nc[nH]c21.
What is the InChIKey of 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol?
The InChIKey is FEGVNQPQZBMTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3,5,14-15H,1-2,4H2,(H2,9,12)(H,10,11).
What are the key properties of 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol?
3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol has a molecular weight of 211.22 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2,7-dihydropurin-3-yl)propane-1,2-diol is sourced from PubChem (CID 15957685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).