2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol

C11H15N5O — CID 10889815

IUPAC2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
SMILESC=C(C)C(C)(CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O/c1-7(2)11(3,4-17)16-6-15-8-9(12)13-5-14-10(8)16/h5-6,17H,1,4H2,2-3H3,(H2,12,13,14)
InChIKeyHMJROSAZDHLHIF-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.69
Rot. Bonds3

About 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol

2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol (PubChem CID 10889815) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
PubChem CID10889815
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
SMILESC=C(C)C(C)(CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C11H15N5O/c1-7(2)11(3,4-17)16-6-15-8-9(12)13-5-14-10(8)16/h5-6,17H,1,4H2,2-3H3,(H2,12,13,14)
InChIKeyHMJROSAZDHLHIF-UHFFFAOYSA-N
XLogP0.69
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
CID 14935376
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
CID 173101965
1-(6-aminopurin-9-yl)ethanone
CID 56662952
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) acetate
CID 57119110
9-[2-(phosphorosomethoxy)prop-2-enyl]purin-6-amine
CID 166551576
9-phosphorosopurin-6-amine
CID 57110561

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol?
The IUPAC name of 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol (CID 10889815) is 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol is C=C(C)C(C)(CO)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol?
The InChIKey is HMJROSAZDHLHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)11(3,4-17)16-6-15-8-9(12)13-5-14-10(8)16/h5-6,17H,1,4H2,2-3H3,(H2,12,13,14).
What are the key properties of 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol?
2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol has a molecular weight of 233.27 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol is sourced from PubChem (CID 10889815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).