2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine

C16H20N6O — CID 117085395

IUPAC2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2ccc(OC)cc2)c2[nH]cnc2n1
InChIInChI=1S/C16H20N6O/c1-3-17-16-21-14(13-15(22-16)20-10-19-13)18-9-8-11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyILQINUKDBVZSLN-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.45
Rot. Bonds7

About 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine

2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine (PubChem CID 117085395) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
PubChem CID117085395
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCc2ccc(OC)cc2)c2[nH]cnc2n1
InChIInChI=1S/C16H20N6O/c1-3-17-16-21-14(13-15(22-16)20-10-19-13)18-9-8-11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H3,17,18,19,20,21,22)
InChIKeyILQINUKDBVZSLN-UHFFFAOYSA-N
XLogP2.45
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
2-N-ethyl-6-N-[2-(1-methylpyrazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 106106749
6-N-[(4-chlorophenyl)methyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783629
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
CID 114784046
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine (CID 117085395) is 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine is CCNc1nc(NCCc2ccc(OC)cc2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is ILQINUKDBVZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-17-16-21-14(13-15(22-16)20-10-19-13)18-9-8-11-4-6-12(23-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H3,17,18,19,20,21,22).
What are the key properties of 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine?
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 312.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 117085395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).