4-(6-aminopurin-9-yl)-2-methylbutan-2-ol

C10H15N5O — CID 79360393

IUPAC4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H15N5O/c1-10(2,16)3-4-15-6-14-7-8(11)12-5-13-9(7)15/h5-6,16H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyGAWITTKQWPSUPC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.57
Rot. Bonds3

About 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol

4-(6-aminopurin-9-yl)-2-methylbutan-2-ol (PubChem CID 79360393) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
PubChem CID79360393
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1cnc2c(N)ncnc21
InChIInChI=1S/C10H15N5O/c1-10(2,16)3-4-15-6-14-7-8(11)12-5-13-9(7)15/h5-6,16H,3-4H2,1-2H3,(H2,11,12,13)
InChIKeyGAWITTKQWPSUPC-UHFFFAOYSA-N
XLogP0.57
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
(2-methylpropan-2-yl)oxycarbonyl 2-amino-4-(6-aminopurin-9-yl)-2-methylbutanoate
CID 57241811
9-nonylpurin-6-amine
CID 3816519
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
CID 681975
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
9-[2-(azetidin-3-yl)ethyl]purin-6-amine
CID 107391226

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol (CID 79360393) is 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol is CC(C)(O)CCn1cnc2c(N)ncnc21.
What is the InChIKey of 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol?
The InChIKey is GAWITTKQWPSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-10(2,16)3-4-15-6-14-7-8(11)12-5-13-9(7)15/h5-6,16H,3-4H2,1-2H3,(H2,11,12,13).
What are the key properties of 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol?
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol has a molecular weight of 221.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79360393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).