2-bromo-6-methoxy-9-methylpurine;ethane

C9H13BrN4O — CID 142303922

IUPAC2-bromo-6-methoxy-9-methylpurine;ethane
SMILESCC.COc1nc(Br)nc2c1ncn2C
InChIInChI=1S/C7H7BrN4O.C2H6/c1-12-3-9-4-5(12)10-7(8)11-6(4)13-2;1-2/h3H,1-2H3;1-2H3
InChIKeyWYJJSPXQHGGMSN-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.16
Rot. Bonds1

About 2-bromo-6-methoxy-9-methylpurine;ethane

2-bromo-6-methoxy-9-methylpurine;ethane (PubChem CID 142303922) has the molecular formula C9H13BrN4O and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-bromo-6-methoxy-9-methylpurine;ethane.

Molecular Properties

Compound Name2-bromo-6-methoxy-9-methylpurine;ethane
PubChem CID142303922
Molecular FormulaC9H13BrN4O
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name2-bromo-6-methoxy-9-methylpurine;ethane
SMILESCC.COc1nc(Br)nc2c1ncn2C
InChIInChI=1S/C7H7BrN4O.C2H6/c1-12-3-9-4-5(12)10-7(8)11-6(4)13-2;1-2/h3H,1-2H3;1-2H3
InChIKeyWYJJSPXQHGGMSN-UHFFFAOYSA-N
XLogP2.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

O-(6)-Methylguanine
CID 65275
6-Ethoxypurine
CID 87338
6-Methoxy-9H-purine
CID 70632
Purine, 2-amino-6-propoxy-
CID 95802
6-ethoxy-9H-purin-2-amine
CID 95805
9-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methoxy-9H-purine
CID 4550328
1,3-Propanediol, 2-(2-(2-amino-6-methoxy-9H-purin-9-yl)ethyl)-
CID 515113
6-methoxy-N,N,7,9-tetramethyl-purin-9-ium-2-amine
CID 391982
O(6)-n-Butylguanine
CID 95803
1H-Purin-2-amine, 6-(1-methylethoxy)-
CID 95804
O6-Substituted Guanine Deriv. 8
CID 5329496
2-[(2-Amino-6-methoxypurin-9-yl)oxymethyl]propane-1,3-diol
CID 22160569

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-9-methylpurine;ethane?
The IUPAC name of 2-bromo-6-methoxy-9-methylpurine;ethane (CID 142303922) is 2-bromo-6-methoxy-9-methylpurine;ethane.
What is the SMILES notation for 2-bromo-6-methoxy-9-methylpurine;ethane?
The canonical SMILES for 2-bromo-6-methoxy-9-methylpurine;ethane is CC.COc1nc(Br)nc2c1ncn2C.
What is the InChIKey of 2-bromo-6-methoxy-9-methylpurine;ethane?
The InChIKey is WYJJSPXQHGGMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O.C2H6/c1-12-3-9-4-5(12)10-7(8)11-6(4)13-2;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 2-bromo-6-methoxy-9-methylpurine;ethane?
2-bromo-6-methoxy-9-methylpurine;ethane has a molecular weight of 273.13 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-9-methylpurine;ethane is sourced from PubChem (CID 142303922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).