9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine

C14H16N6O — CID 106760245

IUPAC9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1ccccc1N(C)C
InChIInChI=1S/C14H16N6O/c1-19(2)9-6-4-5-7-10(9)20-12-11(18-14(20)15)13(21-3)17-8-16-12/h4-8H,1-3H3,(H2,15,18)
InChIKeyRHPWJMNHFMBSCK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.47
Rot. Bonds3

About 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine

9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine (PubChem CID 106760245) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine.

Molecular Properties

Compound Name9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
PubChem CID106760245
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine
SMILESCOc1ncnc2c1nc(N)n2-c1ccccc1N(C)C
InChIInChI=1S/C14H16N6O/c1-19(2)9-6-4-5-7-10(9)20-12-11(18-14(20)15)13(21-3)17-8-16-12/h4-8H,1-3H3,(H2,15,18)
InChIKeyRHPWJMNHFMBSCK-UHFFFAOYSA-N
XLogP1.47
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-9-(2-methylsulfanylphenyl)purin-8-amine
CID 107645395
9-(2,6-dibromophenyl)-6-methoxypurin-8-amine
CID 107601316
4-(8-amino-6-methoxypurin-9-yl)-3-chlorobenzonitrile
CID 107809098
9-(3-chloro-5-fluorophenyl)-6-methoxypurin-8-amine
CID 107368239
6-[2-(dimethylamino)phenyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 106760271
3-(2-methoxyphenyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288235
6-methoxy-9-octylpurin-8-amine
CID 115569133
2-(4-chloropyrazolo[5,4-d]pyrimidin-1-yl)-N,N-dimethylaniline
CID 91324401
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylaniline
CID 106760332
9-[2-(5-bromothiophen-2-yl)ethyl]-6-methoxypurin-8-amine
CID 106036150
6-methoxy-9-(2-thiomorpholin-4-ylethyl)purin-8-amine
CID 106326325
6-methoxy-9-(7-oxabicyclo[2.2.1]heptan-2-yl)purin-8-amine
CID 80721385

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine?
The IUPAC name of 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine (CID 106760245) is 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine.
What is the SMILES notation for 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine?
The canonical SMILES for 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine is COc1ncnc2c1nc(N)n2-c1ccccc1N(C)C.
What is the InChIKey of 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine?
The InChIKey is RHPWJMNHFMBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19(2)9-6-4-5-7-10(9)20-12-11(18-14(20)15)13(21-3)17-8-16-12/h4-8H,1-3H3,(H2,15,18).
What are the key properties of 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine?
9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine has a molecular weight of 284.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)phenyl]-6-methoxypurin-8-amine is sourced from PubChem (CID 106760245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).