(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

C11H14N4O3 — CID 5270841

IUPAC(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)c[nH]c12
InChIInChI=1S/C11H14N4O3/c12-11-10-9(14-4-15-11)5(2-13-10)7-1-6(17)8(3-16)18-7/h2,4,6-8,13,16-17H,1,3H2,(H2,12,14,15)/t6-,7+,8+/m0/s1
InChIKeyGXKHHOBQRCQROE-XLPZGREQSA-N
MW250.26 g/mol
LogP-0.28
Rot. Bonds2

About (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 5270841) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID5270841
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)c[nH]c12
InChIInChI=1S/C11H14N4O3/c12-11-10-9(14-4-15-11)5(2-13-10)7-1-6(17)8(3-16)18-7/h2,4,6-8,13,16-17H,1,3H2,(H2,12,14,15)/t6-,7+,8+/m0/s1
InChIKeyGXKHHOBQRCQROE-XLPZGREQSA-N
XLogP-0.28
TPSA117.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 5270841) is (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)c[nH]c12.
What is the InChIKey of (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is GXKHHOBQRCQROE-XLPZGREQSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-11-10-9(14-4-15-11)5(2-13-10)7-1-6(17)8(3-16)18-7/h2,4,6-8,13,16-17H,1,3H2,(H2,12,14,15)/t6-,7+,8+/m0/s1.
What are the key properties of (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 250.26 g/mol, XLogP of -0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 5270841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).