(2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H13N5O4 — CID 23272960

IUPAC(2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2cnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12
InChIInChI=1S/C10H13N5O4/c11-9-6-4(12-3-13-9)1-14-15(6)10-8(18)7(17)5(2-16)19-10/h1,3,5,7-8,10,16-18H,2H2,(H2,11,12,13)/t5-,7-,8-,10-/m1/s1
InChIKeyMUPSXXAHNAVRBS-VPCXQMTMSA-N
MW267.25 g/mol
LogP-1.98
Rot. Bonds2

About (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 23272960) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID23272960
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name(2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNc1ncnc2cnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12
InChIInChI=1S/C10H13N5O4/c11-9-6-4(12-3-13-9)1-14-15(6)10-8(18)7(17)5(2-16)19-10/h1,3,5,7-8,10,16-18H,2H2,(H2,11,12,13)/t5-,7-,8-,10-/m1/s1
InChIKeyMUPSXXAHNAVRBS-VPCXQMTMSA-N
XLogP-1.98
TPSA139.54 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(7-methylsulfanylpyrazolo[4,5-d]pyrimidin-1-yl)oxolane-3,4-diol
CID 92527876
(2R,3R,4S,5S)-2-(4-amino-3-bromopyrazolo[3,4-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11759755
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 46874991

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 23272960) is (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Nc1ncnc2cnn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12.
What is the InChIKey of (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is MUPSXXAHNAVRBS-VPCXQMTMSA-N. The full InChI is InChI=1S/C10H13N5O4/c11-9-6-4(12-3-13-9)1-14-15(6)10-8(18)7(17)5(2-16)19-10/h1,3,5,7-8,10,16-18H,2H2,(H2,11,12,13)/t5-,7-,8-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 267.25 g/mol, XLogP of -1.98, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(7-aminopyrazolo[4,5-d]pyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 23272960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).