2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol

C9H13N5O2 — CID 3025970

IUPAC2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol
SMILESNc1ncc2ncn(CC(CO)CO)c2n1
InChIInChI=1S/C9H13N5O2/c10-9-11-1-7-8(13-9)14(5-12-7)2-6(3-15)4-16/h1,5-6,15-16H,2-4H2,(H2,10,11,13)
InChIKeyPIWJGZWZNOWIGH-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.99
Rot. Bonds4

About 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol

2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol (PubChem CID 3025970) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol
PubChem CID3025970
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol
SMILESNc1ncc2ncn(CC(CO)CO)c2n1
InChIInChI=1S/C9H13N5O2/c10-9-11-1-7-8(13-9)14(5-12-7)2-6(3-15)4-16/h1,5-6,15-16H,2-4H2,(H2,10,11,13)
InChIKeyPIWJGZWZNOWIGH-UHFFFAOYSA-N
XLogP-0.99
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(2-aminopurin-9-yl)methyl]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

Famciclovir
CID 3324
2-(6-Aminopurin-9-yl)ethanol
CID 242652
6-Deoxypenciclovir
CID 128517
Rociclovir
CID 65905
(S)-9-(2,3-dihydroxypropyl)adenine
CID 73124
Desciclovir
CID 55256
8-Bromo-9-(3-hydroxypropyl)-9H-adenine
CID 44572471
3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
CID 114769
Desacetyl Famciclovir
CID 10039252
9-(2,3-Dihydroxypropyl)adenine
CID 134406
3-(6-Amino-9H-purin-9-yl)propan-1-ol
CID 12486289
(Z)-(2-((6-Amino-9H-purin-9-yl)methylene)cyclopropyl)methanol
CID 6312482

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol (CID 3025970) is 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol is Nc1ncc2ncn(CC(CO)CO)c2n1.
What is the InChIKey of 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol?
The InChIKey is PIWJGZWZNOWIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-9-11-1-7-8(13-9)14(5-12-7)2-6(3-15)4-16/h1,5-6,15-16H,2-4H2,(H2,10,11,13).
What are the key properties of 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol?
2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol has a molecular weight of 223.24 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminopurin-9-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 3025970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).