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

C10H12N4O3 — CID 511856

IUPAC[(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1ncnc2c1ccn2[C@H]1CO[C@@H](CO)O1
InChIInChI=1S/C10H12N4O3/c11-9-6-1-2-14(10(6)13-5-12-9)7-4-16-8(3-15)17-7/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13)/t7-,8-/m1/s1
InChIKeyOZOBZSULJCYGKH-HTQZYQBOSA-N
MW236.23 g/mol
LogP-0.12
Rot. Bonds2

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

[(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 511856) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID511856
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name[(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1ncnc2c1ccn2[C@H]1CO[C@@H](CO)O1
InChIInChI=1S/C10H12N4O3/c11-9-6-1-2-14(10(6)13-5-12-9)7-4-16-8(3-15)17-7/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13)/t7-,8-/m1/s1
InChIKeyOZOBZSULJCYGKH-HTQZYQBOSA-N
XLogP-0.12
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol (CID 511856) is [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol is Nc1ncnc2c1ccn2[C@H]1CO[C@@H](CO)O1.
What is the InChIKey of [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is OZOBZSULJCYGKH-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-9-6-1-2-14(10(6)13-5-12-9)7-4-16-8(3-15)17-7/h1-2,5,7-8,15H,3-4H2,(H2,11,12,13)/t7-,8-/m1/s1.
What are the key properties of [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol?
[(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 236.23 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 511856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).