[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol

C9H11N5O3 — CID 22714952

IUPAC[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1ncc2[nH]c(C3COC(CO)O3)nc2n1
InChIInChI=1S/C9H11N5O3/c10-9-11-1-4-7(14-9)13-8(12-4)5-3-16-6(2-15)17-5/h1,5-6,15H,2-3H2,(H3,10,11,12,13,14)
InChIKeyKPIICPYNCQTJCH-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.66
Rot. Bonds2

About [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol

[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 22714952) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID22714952
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1ncc2[nH]c(C3COC(CO)O3)nc2n1
InChIInChI=1S/C9H11N5O3/c10-9-11-1-4-7(14-9)13-8(12-4)5-3-16-6(2-15)17-5/h1,5-6,15H,2-3H2,(H3,10,11,12,13,14)
InChIKeyKPIICPYNCQTJCH-UHFFFAOYSA-N
XLogP-0.66
TPSA119.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol (CID 22714952) is [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol is Nc1ncc2[nH]c(C3COC(CO)O3)nc2n1.
What is the InChIKey of [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is KPIICPYNCQTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c10-9-11-1-4-7(14-9)13-8(12-4)5-3-16-6(2-15)17-5/h1,5-6,15H,2-3H2,(H3,10,11,12,13,14).
What are the key properties of [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol?
[4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 237.22 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-7H-purin-8-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 22714952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).