3-(6-imino-7H-purin-3-yl)propane-1,2-diol

C8H11N5O2 — CID 135463741

IUPAC3-(6-imino-7H-purin-3-yl)propane-1,2-diol
SMILES[H]/N=c1\ncn(CC(O)CO)c2nc[nH]c12
InChIInChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3-5,9,14-15H,1-2H2,(H,10,11)/b9-7-
InChIKeyXNEBSVYACKTMFE-CLFYSBASSA-N
MW209.21 g/mol
LogP-1.41
Rot. Bonds3

About 3-(6-imino-7H-purin-3-yl)propane-1,2-diol

3-(6-imino-7H-purin-3-yl)propane-1,2-diol (PubChem CID 135463741) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-(6-imino-7H-purin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(6-imino-7H-purin-3-yl)propane-1,2-diol
PubChem CID135463741
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name3-(6-imino-7H-purin-3-yl)propane-1,2-diol
SMILES[H]/N=c1\ncn(CC(O)CO)c2nc[nH]c12
InChIInChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3-5,9,14-15H,1-2H2,(H,10,11)/b9-7-
InChIKeyXNEBSVYACKTMFE-CLFYSBASSA-N
XLogP-1.41
TPSA110.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
The IUPAC name of 3-(6-imino-7H-purin-3-yl)propane-1,2-diol (CID 135463741) is 3-(6-imino-7H-purin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-(6-imino-7H-purin-3-yl)propane-1,2-diol is [H]/N=c1\ncn(CC(O)CO)c2nc[nH]c12.
What is the InChIKey of 3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
The InChIKey is XNEBSVYACKTMFE-CLFYSBASSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-7-6-8(11-3-10-6)13(4-12-7)1-5(15)2-14/h3-5,9,14-15H,1-2H2,(H,10,11)/b9-7-.
What are the key properties of 3-(6-imino-7H-purin-3-yl)propane-1,2-diol?
3-(6-imino-7H-purin-3-yl)propane-1,2-diol has a molecular weight of 209.21 g/mol, XLogP of -1.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imino-7H-purin-3-yl)propane-1,2-diol is sourced from PubChem (CID 135463741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).