2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C11H17N5O4 — CID 77151545

IUPAC2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN1C=NC(N)=C2N=CN(C3OC(CO)C(O)C3O)C21
InChIInChI=1S/C11H17N5O4/c1-15-3-14-9(12)6-10(15)16(4-13-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,10-11,17-19H,2,12H2,1H3
InChIKeyXNCNRYHOFVYWAQ-UHFFFAOYSA-N
MW283.29 g/mol
LogP-2.80
Rot. Bonds2

About 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 77151545) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID77151545
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN1C=NC(N)=C2N=CN(C3OC(CO)C(O)C3O)C21
InChIInChI=1S/C11H17N5O4/c1-15-3-14-9(12)6-10(15)16(4-13-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,10-11,17-19H,2,12H2,1H3
InChIKeyXNCNRYHOFVYWAQ-UHFFFAOYSA-N
XLogP-2.80
TPSA127.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

[(2R,3S,4R,5R)-5-(6-amino-3-phosphono-4H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 173231731
(2R,3R,4S,5R)-2-(6-amino-1-methyl-6H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 10221419
(3S,4R,5R)-2-[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4H-purin-3-yl]oxyamino]-5-(6-aminopurin-9-yl)-1,2-oxazolidine-3,4-diol
CID 89189281
(2R,3R,4S,5R)-2-(6-amino-4,5-dihydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11254204
(2R,3R,4S,5R)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)(313C)oxolane-3,4-diol
CID 11401650
(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54568488
(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3S,4S,5R)-2-(6-amino-4H-pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67605890
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
(2R,3R,4S,5R)-2-(4-amino-3-methylpyrrolo[2,3-b]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 155513239
2-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
CID 102404057

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 77151545) is 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CN1C=NC(N)=C2N=CN(C3OC(CO)C(O)C3O)C21.
What is the InChIKey of 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is XNCNRYHOFVYWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-15-3-14-9(12)6-10(15)16(4-13-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,10-11,17-19H,2,12H2,1H3.
What are the key properties of 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 283.29 g/mol, XLogP of -2.80, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 77151545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).