(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol

C11H14N4O3 — CID 5270728

IUPAC(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol
SMILESNc1ncnc2c1ccn2[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1
InChIKeyDEXGSOQQTISOEO-KDXUFGMBSA-N
MW250.26 g/mol
LogP-0.96
Rot. Bonds1

About (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol

(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol (PubChem CID 5270728) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol
PubChem CID5270728
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol
SMILESNc1ncnc2c1ccn2[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1
InChIKeyDEXGSOQQTISOEO-KDXUFGMBSA-N
XLogP-0.96
TPSA117.42 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol?
The IUPAC name of (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol (CID 5270728) is (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol.
What is the SMILES notation for (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol?
The canonical SMILES for (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol is Nc1ncnc2c1ccn2[C@H]1C[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol?
The InChIKey is DEXGSOQQTISOEO-KDXUFGMBSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10-5-1-2-15(11(5)14-4-13-10)6-3-7(16)9(18)8(6)17/h1-2,4,6-9,16-18H,3H2,(H2,12,13,14)/t6-,7+,8+,9-/m0/s1.
What are the key properties of (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol?
(1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol has a molecular weight of 250.26 g/mol, XLogP of -0.96, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2,3-triol is sourced from PubChem (CID 5270728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).