(2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C13H18N4O5 — CID 71579755

IUPAC(2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESCOc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C13H18N4O5/c1-13(20)8(19)7(5-18)22-11(13)17-4-3-6-9(17)15-12(14)16-10(6)21-2/h3-4,7-8,11,18-20H,5H2,1-2H3,(H2,14,15,16)/t7-,8-,11-,13-/m1/s1
InChIKeyWYYXZUNLEYZALB-KMEHANEDSA-N
MW310.31 g/mol
LogP-0.98
Rot. Bonds3

About (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 71579755) has the molecular formula C13H18N4O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
PubChem CID71579755
Molecular FormulaC13H18N4O5
Molecular Weight310.31 g/mol
Exact Mass310.13
IUPAC Name(2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SMILESCOc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C13H18N4O5/c1-13(20)8(19)7(5-18)22-11(13)17-4-3-6-9(17)15-12(14)16-10(6)21-2/h3-4,7-8,11,18-20H,5H2,1-2H3,(H2,14,15,16)/t7-,8-,11-,13-/m1/s1
InChIKeyWYYXZUNLEYZALB-KMEHANEDSA-N
XLogP-0.98
TPSA135.88 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 71579755) is (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is COc1nc(N)nc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O.
What is the InChIKey of (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
The InChIKey is WYYXZUNLEYZALB-KMEHANEDSA-N. The full InChI is InChI=1S/C13H18N4O5/c1-13(20)8(19)7(5-18)22-11(13)17-4-3-6-9(17)15-12(14)16-10(6)21-2/h3-4,7-8,11,18-20H,5H2,1-2H3,(H2,14,15,16)/t7-,8-,11-,13-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?
(2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 310.31 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 71579755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).