2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine

C19H20N6O2 — CID 117091759

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
SMILESCOc1ccc(CCNc2nc(-c3c(C)noc3C)nc3nc[nH]c23)cc1
InChIInChI=1S/C19H20N6O2/c1-11-15(12(2)27-25-11)17-23-18(16-19(24-17)22-10-21-16)20-9-8-13-4-6-14(26-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22,23,24)
InChIKeySQQUKUQXNKJKOY-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.29
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine (PubChem CID 117091759) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
PubChem CID117091759
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
SMILESCOc1ccc(CCNc2nc(-c3c(C)noc3C)nc3nc[nH]c23)cc1
InChIInChI=1S/C19H20N6O2/c1-11-15(12(2)27-25-11)17-23-18(16-19(24-17)22-10-21-16)20-9-8-13-4-6-14(26-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22,23,24)
InChIKeySQQUKUQXNKJKOY-UHFFFAOYSA-N
XLogP3.29
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine (CID 117091759) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine is COc1ccc(CCNc2nc(-c3c(C)noc3C)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
The InChIKey is SQQUKUQXNKJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-15(12(2)27-25-11)17-23-18(16-19(24-17)22-10-21-16)20-9-8-13-4-6-14(26-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine has a molecular weight of 364.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 117091759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).