6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine

C14H15BrN6 — CID 107638678

IUPAC6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2cccc(Br)c2C)c2[nH]cnc2n1
InChIInChI=1S/C14H15BrN6/c1-3-16-14-20-12-11(17-7-18-12)13(21-14)19-10-6-4-5-9(15)8(10)2/h4-7H,3H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyAMRKRBZUHWRGLH-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.60
Rot. Bonds4

About 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine

6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine (PubChem CID 107638678) has the molecular formula C14H15BrN6 and a molecular weight of 347.22 g/mol. Its IUPAC name is 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
PubChem CID107638678
Molecular FormulaC14H15BrN6
Molecular Weight347.22 g/mol
Exact Mass346.05
IUPAC Name6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2cccc(Br)c2C)c2[nH]cnc2n1
InChIInChI=1S/C14H15BrN6/c1-3-16-14-20-12-11(17-7-18-12)13(21-14)19-10-6-4-5-9(15)8(10)2/h4-7H,3H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyAMRKRBZUHWRGLH-UHFFFAOYSA-N
XLogP3.60
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
6-N-(2,6-dibromophenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 107604396
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
4-N-(3-bromo-2-methylphenyl)-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 107638626
2-N-methyl-6-N-(2-methylphenyl)-7H-purine-2,6-diamine
CID 114783343
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine (CID 107638678) is 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine is CCNc1nc(Nc2cccc(Br)c2C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine?
The InChIKey is AMRKRBZUHWRGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN6/c1-3-16-14-20-12-11(17-7-18-12)13(21-14)19-10-6-4-5-9(15)8(10)2/h4-7H,3H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine?
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine has a molecular weight of 347.22 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 107638678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).