2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine

C20H28N6O2 — CID 163787100

IUPAC2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine
SMILESCOCCC1N=c2nc(Nc3cccc(C)c3)[nH]c2=C(N2CCOCC2)N1C
InChIInChI=1S/C20H28N6O2/c1-14-5-4-6-15(13-14)21-20-23-17-18(24-20)22-16(7-10-27-3)25(2)19(17)26-8-11-28-12-9-26/h4-6,13,16H,7-12H2,1-3H3,(H2,21,22,23,24)
InChIKeyMTMHIYYYDGFZOH-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.79
Rot. Bonds6

About 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine

2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine (PubChem CID 163787100) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine
PubChem CID163787100
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine
SMILESCOCCC1N=c2nc(Nc3cccc(C)c3)[nH]c2=C(N2CCOCC2)N1C
InChIInChI=1S/C20H28N6O2/c1-14-5-4-6-15(13-14)21-20-23-17-18(24-20)22-16(7-10-27-3)25(2)19(17)26-8-11-28-12-9-26/h4-6,13,16H,7-12H2,1-3H3,(H2,21,22,23,24)
InChIKeyMTMHIYYYDGFZOH-UHFFFAOYSA-N
XLogP0.79
TPSA78.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine?
The IUPAC name of 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine (CID 163787100) is 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine?
The canonical SMILES for 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine is COCCC1N=c2nc(Nc3cccc(C)c3)[nH]c2=C(N2CCOCC2)N1C.
What is the InChIKey of 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine?
The InChIKey is MTMHIYYYDGFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-5-4-6-15(13-14)21-20-23-17-18(24-20)22-16(7-10-27-3)25(2)19(17)26-8-11-28-12-9-26/h4-6,13,16H,7-12H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine?
2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine has a molecular weight of 384.48 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-methyl-N-(3-methylphenyl)-6-morpholin-4-yl-2,7-dihydropurin-8-amine is sourced from PubChem (CID 163787100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).