(2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol

C11H16N4O5 — CID 134420525

IUPAC(2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol
SMILESCO[C@H](CO)[C@@H](O)C(O)(O)n1ccc2c(N)ncnc21
InChIInChI=1S/C11H16N4O5/c1-20-7(4-16)8(17)11(18,19)15-3-2-6-9(12)13-5-14-10(6)15/h2-3,5,7-8,16-19H,4H2,1H3,(H2,12,13,14)/t7-,8-/m1/s1
InChIKeyWHJLPIGCKCHYER-HTQZYQBOSA-N
MW284.27 g/mol
LogP-2.02
Rot. Bonds5

About (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol

(2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol (PubChem CID 134420525) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol.

Molecular Properties

Compound Name(2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol
PubChem CID134420525
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol
SMILESCO[C@H](CO)[C@@H](O)C(O)(O)n1ccc2c(N)ncnc21
InChIInChI=1S/C11H16N4O5/c1-20-7(4-16)8(17)11(18,19)15-3-2-6-9(12)13-5-14-10(6)15/h2-3,5,7-8,16-19H,4H2,1H3,(H2,12,13,14)/t7-,8-/m1/s1
InChIKeyWHJLPIGCKCHYER-HTQZYQBOSA-N
XLogP-2.02
TPSA146.88 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol?
The IUPAC name of (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol (CID 134420525) is (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol.
What is the SMILES notation for (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol?
The canonical SMILES for (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol is CO[C@H](CO)[C@@H](O)C(O)(O)n1ccc2c(N)ncnc21.
What is the InChIKey of (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol?
The InChIKey is WHJLPIGCKCHYER-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-20-7(4-16)8(17)11(18,19)15-3-2-6-9(12)13-5-14-10(6)15/h2-3,5,7-8,16-19H,4H2,1H3,(H2,12,13,14)/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol?
(2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol has a molecular weight of 284.27 g/mol, XLogP of -2.02, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-methoxybutane-1,1,2,4-tetrol is sourced from PubChem (CID 134420525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).