3-(6-aminopurin-9-yl)nonan-2-ol

C14H23N5O — CID 3206

IUPAC3-(6-aminopurin-9-yl)nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyIOSAAWHGJUZBOG-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.30
Rot. Bonds7

About 3-(6-aminopurin-9-yl)nonan-2-ol

3-(6-aminopurin-9-yl)nonan-2-ol (PubChem CID 3206) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(6-aminopurin-9-yl)nonan-2-ol.

Molecular Properties

Compound Name3-(6-aminopurin-9-yl)nonan-2-ol
PubChem CID3206
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-(6-aminopurin-9-yl)nonan-2-ol
SMILESCCCCCCC(C(C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyIOSAAWHGJUZBOG-UHFFFAOYSA-N
XLogP2.30
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Nb-001
CID 2815031
5'-Deoxyadenosine
CID 439182
Tenofovir Exalidex
CID 23628250
2-(6-Aminopurin-9-yl)ethanol
CID 242652
9-(2-Hydroxypropyl)adenine, (R)-
CID 445211
(2S,3R)-Ehna
CID 149790
2',5'-Dideoxyadenosine
CID 65166
(S)-9-(2,3-dihydroxypropyl)adenine
CID 73124
(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
CID 149784
9-(2-Hydroxypropyl)adenine
CID 1942
3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
CID 114769
2-Fluoro-5'-deoxyadenosine
CID 9881866

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopurin-9-yl)nonan-2-ol?
The IUPAC name of 3-(6-aminopurin-9-yl)nonan-2-ol (CID 3206) is 3-(6-aminopurin-9-yl)nonan-2-ol.
What is the SMILES notation for 3-(6-aminopurin-9-yl)nonan-2-ol?
The canonical SMILES for 3-(6-aminopurin-9-yl)nonan-2-ol is CCCCCCC(C(C)O)n1cnc2c(N)ncnc21.
What is the InChIKey of 3-(6-aminopurin-9-yl)nonan-2-ol?
The InChIKey is IOSAAWHGJUZBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 3-(6-aminopurin-9-yl)nonan-2-ol?
3-(6-aminopurin-9-yl)nonan-2-ol has a molecular weight of 277.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopurin-9-yl)nonan-2-ol is sourced from PubChem (CID 3206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).