2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol

C10H15N5O4 — CID 22160569

IUPAC2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol
SMILESCOc1nc(N)nc2c1ncn2OCC(CO)CO
InChIInChI=1S/C10H15N5O4/c1-18-9-7-8(13-10(11)14-9)15(5-12-7)19-4-6(2-16)3-17/h5-6,16-17H,2-4H2,1H3,(H2,11,13,14)
InChIKeyIWFCIXHZCIDGIE-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.55
Rot. Bonds6

About 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol

2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol (PubChem CID 22160569) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol
PubChem CID22160569
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol
SMILESCOc1nc(N)nc2c1ncn2OCC(CO)CO
InChIInChI=1S/C10H15N5O4/c1-18-9-7-8(13-10(11)14-9)15(5-12-7)19-4-6(2-16)3-17/h5-6,16-17H,2-4H2,1H3,(H2,11,13,14)
InChIKeyIWFCIXHZCIDGIE-UHFFFAOYSA-N
XLogP-1.55
TPSA128.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Purine, 2-amino-6-propoxy-
CID 95802
1,3-Propanediol, 2-(2-(2-amino-6-methoxy-9H-purin-9-yl)ethyl)-
CID 515113
2-Amino-6-ethoxy-9-(4-hydroxy-3-hydroxymethylbut-1-yl)purine
CID 13869774
2-Amino-9-(4-hydroxy-3-hydroxymethylbut-1-yl)-6-isopropoxypurine
CID 13869775
6-methoxy-N,N,7,9-tetramethyl-purin-9-ium-2-amine
CID 391982
O6-Substituted Guanine Deriv. 11
CID 5329499
O6-Substituted Guanine Deriv. 39
CID 5329523
[(1S,2Z)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]cyclopropyl]methanol
CID 3002846
2-[2-(2-Amino-6-butoxypurin-9-yl)ethyl]propane-1,3-diol
CID 13869776
[2-(2-Amino-6-methoxy-purin-9-ylmethylene)-1-hydroxymethyl-cyclopropyl]-methanol
CID 3006050
[(2E)-2-[(2-amino-6-methoxy-purin-9-yl)methylene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 11482796
2-Amino-6-ethoxy-9-(3-hydroxyprop-1-oxy)purine
CID 22160570

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol?
The IUPAC name of 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol (CID 22160569) is 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol is COc1nc(N)nc2c1ncn2OCC(CO)CO.
What is the InChIKey of 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol?
The InChIKey is IWFCIXHZCIDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c1-18-9-7-8(13-10(11)14-9)15(5-12-7)19-4-6(2-16)3-17/h5-6,16-17H,2-4H2,1H3,(H2,11,13,14).
What are the key properties of 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol?
2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol has a molecular weight of 269.26 g/mol, XLogP of -1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol is sourced from PubChem (CID 22160569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).