2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C18H19N5O4 — CID 74033344

IUPAC2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1nc(C=Cc1ccccc1)n2C1OC(CO)C(O)C1O
InChIInChI=1S/C18H19N5O4/c19-16-13-17(21-9-20-16)23(18-15(26)14(25)11(8-24)27-18)12(22-13)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,24-26H,8H2,(H2,19,20,21)
InChIKeyDAEQZRXRIPKCPU-UHFFFAOYSA-N
MW369.38 g/mol
LogP0.19
Rot. Bonds4

About 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 74033344) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID74033344
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2c1nc(C=Cc1ccccc1)n2C1OC(CO)C(O)C1O
InChIInChI=1S/C18H19N5O4/c19-16-13-17(21-9-20-16)23(18-15(26)14(25)11(8-24)27-18)12(22-13)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,24-26H,8H2,(H2,19,20,21)
InChIKeyDAEQZRXRIPKCPU-UHFFFAOYSA-N
XLogP0.19
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4S,5R)-2-[6-amino-8-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 73054942
(2R,3R,4S,5R)-2-[6-amino-8-[(E)-2-(4-nitrophenyl)ethenyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 73054661
(2R,3R,4S,5R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14702123
(2R,5R)-2-(6-amino-8-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57098518
(2R,3R,4S,5R)-2-[4-amino-3-[(E)-2-phenylethenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 164619965
(2S,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 7166681
(2R,3S,4S,5S)-2-[6-amino-8-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 136749483
2-[6-amino-8-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 4599830
(2S,3S,4R,5S)-2-(6-amino-8-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 43811134
(2R,3S,4S,5S)-2-[6-amino-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 163074347
(2R,3R,4S,5R)-2-[6-amino-8-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44659019
(2R,3R,4S,5R)-2-[6-amino-8-(2-phenoxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59034992

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 74033344) is 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2c1nc(C=Cc1ccccc1)n2C1OC(CO)C(O)C1O.
What is the InChIKey of 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is DAEQZRXRIPKCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c19-16-13-17(21-9-20-16)23(18-15(26)14(25)11(8-24)27-18)12(22-13)7-6-10-4-2-1-3-5-10/h1-7,9,11,14-15,18,24-26H,8H2,(H2,19,20,21).
What are the key properties of 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 369.38 g/mol, XLogP of 0.19, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 74033344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).