2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol

C15H23N5O4 — CID 152978576

IUPAC2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol
SMILESOCC1OC(n2cnc3c2NCN=C3N2CCCCC2)C(O)C1O
InChIInChI=1S/C15H23N5O4/c21-6-9-11(22)12(23)15(24-9)20-8-18-10-13(16-7-17-14(10)20)19-4-2-1-3-5-19/h8-9,11-12,15,17,21-23H,1-7H2
InChIKeyUTXMWUSRFKXXDA-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.89
Rot. Bonds2

About 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol

2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol (PubChem CID 152978576) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol
PubChem CID152978576
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol
SMILESOCC1OC(n2cnc3c2NCN=C3N2CCCCC2)C(O)C1O
InChIInChI=1S/C15H23N5O4/c21-6-9-11(22)12(23)15(24-9)20-8-18-10-13(16-7-17-14(10)20)19-4-2-1-3-5-19/h8-9,11-12,15,17,21-23H,1-7H2
InChIKeyUTXMWUSRFKXXDA-UHFFFAOYSA-N
XLogP-0.89
TPSA115.37 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-(6-piperidin-1-ylpurin-9-yl)oxolane-3,4-diol
CID 928080
(2R,3S,4R)-2-(hydroxymethyl)-5-(6-methyl-6-sulfanyl-3H-purin-9-yl)oxolane-3,4-diol
CID 23616816
(2R,3R,4S,5R)-2-(1-ethyl-6-imino-2,3-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 135599137
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-imino-1-(3-methylbut-2-enyl)-2,3-dihydropurin-9-yl]oxolane-3,4-diol
CID 136927179
1-benzyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,3-dihydropurin-6-one
CID 54267272
(3R,4S,5R)-2-(2-chloro-6-pyrrolidin-1-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 90702412
(2R,3R,4S,5R)-2-(4,6-difluoro-5-pyrrolidin-1-ylbenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 132585086
(2R,3R,4S,5R)-2-[6-amino-6-(cyclopentylamino)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67018337
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazo[4,5-b]pyrazin-3-yloxolane-3,4-diol
CID 131878957
2-[2-fluoro-6-(piperidin-1-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 23367726
(2R,3R,4S,5R)-2-(4,5-dichloroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3012563
(2R,5R)-2-(hydroxymethyl)-5-[6-(piperidin-1-ylamino)-2-propan-2-ylpurin-9-yl]oxolane-3,4-diol
CID 57235636

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol (CID 152978576) is 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol is OCC1OC(n2cnc3c2NCN=C3N2CCCCC2)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol?
The InChIKey is UTXMWUSRFKXXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O4/c21-6-9-11(22)12(23)15(24-9)20-8-18-10-13(16-7-17-14(10)20)19-4-2-1-3-5-19/h8-9,11-12,15,17,21-23H,1-7H2.
What are the key properties of 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol?
2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol has a molecular weight of 337.38 g/mol, XLogP of -0.89, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol is sourced from PubChem (CID 152978576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).