2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine

C15H18N6 — CID 114783510

IUPAC2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(CC)cc2)c2[nH]cnc2n1
InChIInChI=1S/C15H18N6/c1-3-10-5-7-11(8-6-10)19-14-12-13(18-9-17-12)20-15(21-14)16-4-2/h5-9H,3-4H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyWXOPQHAIKFTWQS-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.09
Rot. Bonds5

About 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine (PubChem CID 114783510) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
PubChem CID114783510
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(CC)cc2)c2[nH]cnc2n1
InChIInChI=1S/C15H18N6/c1-3-10-5-7-11(8-6-10)19-14-12-13(18-9-17-12)20-15(21-14)16-4-2/h5-9H,3-4H2,1-2H3,(H3,16,17,18,19,20,21)
InChIKeyWXOPQHAIKFTWQS-UHFFFAOYSA-N
XLogP3.09
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
CID 114783532
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
CID 104787158
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine (CID 114783510) is 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine is CCNc1nc(Nc2ccc(CC)cc2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine?
The InChIKey is WXOPQHAIKFTWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-10-5-7-11(8-6-10)19-14-12-13(18-9-17-12)20-15(21-14)16-4-2/h5-9H,3-4H2,1-2H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine has a molecular weight of 282.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).