2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol

C9H13N5O3 — CID 14283773

IUPAC2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
SMILESNc1ncnc2c1ncn2CC(O)(CO)CO
InChIInChI=1S/C9H13N5O3/c10-7-6-8(12-4-11-7)14(5-13-6)1-9(17,2-15)3-16/h4-5,15-17H,1-3H2,(H2,10,11,12)
InChIKeyWQAFYWATYVUPBH-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.88
Rot. Bonds4

About 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol

2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol (PubChem CID 14283773) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol.

Molecular Properties

Compound Name2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
PubChem CID14283773
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
SMILESNc1ncnc2c1ncn2CC(O)(CO)CO
InChIInChI=1S/C9H13N5O3/c10-7-6-8(12-4-11-7)14(5-13-6)1-9(17,2-15)3-16/h4-5,15-17H,1-3H2,(H2,10,11,12)
InChIKeyWQAFYWATYVUPBH-UHFFFAOYSA-N
XLogP-1.88
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
CID 681975
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
[(2S)-3-(6-aminopurin-9-yl)-2-hydroxypropyl]phosphonic acid
CID 135336572
9-(4-aminobut-2-enyl)purin-6-amine
CID 73233001
(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
CID 10706793
(2R,3S,4S,5S)-2-[(6-aminopurin-9-yl)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 11507438

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol?
The IUPAC name of 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol (CID 14283773) is 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol.
What is the SMILES notation for 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol?
The canonical SMILES for 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol is Nc1ncnc2c1ncn2CC(O)(CO)CO.
What is the InChIKey of 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol?
The InChIKey is WQAFYWATYVUPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-7-6-8(12-4-11-7)14(5-13-6)1-9(17,2-15)3-16/h4-5,15-17H,1-3H2,(H2,10,11,12).
What are the key properties of 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol?
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol has a molecular weight of 239.23 g/mol, XLogP of -1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol is sourced from PubChem (CID 14283773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).