N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine

C15H16BrN5O — CID 155799369

IUPACN-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
SMILESCOCCn1cnc2c(Nc3ccc(Br)c(C)c3)ncnc21
InChIInChI=1S/C15H16BrN5O/c1-10-7-11(3-4-12(10)16)20-14-13-15(18-8-17-14)21(9-19-13)5-6-22-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,20)
InChIKeyKIAXQWOBJXCFDR-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.29
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine

N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine (PubChem CID 155799369) has the molecular formula C15H16BrN5O and a molecular weight of 362.23 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
PubChem CID155799369
Molecular FormulaC15H16BrN5O
Molecular Weight362.23 g/mol
Exact Mass361.05
IUPAC NameN-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
SMILESCOCCn1cnc2c(Nc3ccc(Br)c(C)c3)ncnc21
InChIInChI=1S/C15H16BrN5O/c1-10-7-11(3-4-12(10)16)20-14-13-15(18-8-17-14)21(9-19-13)5-6-22-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,20)
InChIKeyKIAXQWOBJXCFDR-UHFFFAOYSA-N
XLogP3.29
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[9-(2-methoxyethyl)purin-6-yl]amino]phenyl]acetamide
CID 155799343
N-(4-bromo-3-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106557048
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
N-(4-bromo-3-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584515
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
N-[(2-fluorophenyl)methyl]-9-(2-methoxyethyl)purin-6-amine
CID 155799084
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 155798891
9-(2-methoxyethyl)-6-piperazin-1-ylpurine
CID 155941203
3-N-chloro-1-N-[9-[2-[4-(chloroamino)phenyl]ethyl]purin-6-yl]benzene-1,3-diamine
CID 143372747
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine (CID 155799369) is N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine is COCCn1cnc2c(Nc3ccc(Br)c(C)c3)ncnc21.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine?
The InChIKey is KIAXQWOBJXCFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O/c1-10-7-11(3-4-12(10)16)20-14-13-15(18-8-17-14)21(9-19-13)5-6-22-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine?
N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine has a molecular weight of 362.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine is sourced from PubChem (CID 155799369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).