9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine

C9H12BrN5O — CID 14935376

IUPAC9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
SMILESCOC(C)(CBr)n1cnc2c(N)ncnc21
InChIInChI=1S/C9H12BrN5O/c1-9(3-10,16-2)15-5-14-6-7(11)12-4-13-8(6)15/h4-5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyZGZJCCPJFOBATO-UHFFFAOYSA-N
MW286.13 g/mol
LogP1.12
Rot. Bonds3

About 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine

9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine (PubChem CID 14935376) has the molecular formula C9H12BrN5O and a molecular weight of 286.13 g/mol. Its IUPAC name is 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine.

Molecular Properties

Compound Name9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
PubChem CID14935376
Molecular FormulaC9H12BrN5O
Molecular Weight286.13 g/mol
Exact Mass285.02
IUPAC Name9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine
SMILESCOC(C)(CBr)n1cnc2c(N)ncnc21
InChIInChI=1S/C9H12BrN5O/c1-9(3-10,16-2)15-5-14-6-7(11)12-4-13-8(6)15/h4-5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyZGZJCCPJFOBATO-UHFFFAOYSA-N
XLogP1.12
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-(6-aminopurin-9-yl)-1-methoxyethyl]-oxophosphanium
CID 173101965
2-(6-aminopurin-9-yl)-2,3-dimethylbut-3-en-1-ol
CID 10889815
9-[1-bromo-2-methoxy-3-(oxan-2-yloxy)propan-2-yl]purin-6-amine
CID 14935378
9-(2-methyloctan-2-yl)purin-6-amine
CID 139502603
9-(5-methyldecan-5-yl)purin-6-amine
CID 170323349
9-(2-methoxyiminoethyl)purin-6-amine
CID 173359043
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
1-(6-aminopurin-9-yl)-3,3-dimethylbutan-2-one
CID 62023866
4-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]-2-ethoxyhexane-3,4-diol
CID 91425772
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489

Frequently Asked Questions

What is the IUPAC name of 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine?
The IUPAC name of 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine (CID 14935376) is 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine.
What is the SMILES notation for 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine?
The canonical SMILES for 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine is COC(C)(CBr)n1cnc2c(N)ncnc21.
What is the InChIKey of 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine?
The InChIKey is ZGZJCCPJFOBATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5O/c1-9(3-10,16-2)15-5-14-6-7(11)12-4-13-8(6)15/h4-5H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine?
9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine has a molecular weight of 286.13 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-bromo-2-methoxypropan-2-yl)purin-6-amine is sourced from PubChem (CID 14935376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).