8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine

C19H20N6O2 — CID 117082606

IUPAC8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
SMILESCOc1ccc(CCNc2ncnc3nc(-c4c(C)noc4C)[nH]c23)cc1
InChIInChI=1S/C19H20N6O2/c1-11-15(12(2)27-25-11)17-23-16-18(21-10-22-19(16)24-17)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)
InChIKeyQSSHAXKNHDPJGC-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.29
Rot. Bonds6

About 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine

8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine (PubChem CID 117082606) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
PubChem CID117082606
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine
SMILESCOc1ccc(CCNc2ncnc3nc(-c4c(C)noc4C)[nH]c23)cc1
InChIInChI=1S/C19H20N6O2/c1-11-15(12(2)27-25-11)17-23-16-18(21-10-22-19(16)24-17)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)
InChIKeyQSSHAXKNHDPJGC-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

Analyze 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine with MolForge

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Related Compounds

5-[(6-methoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887024
5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135433823
3-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135547060
7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 57328467
6-Bromo-2-(4-methoxy-phenyl)-7-[4-(5-methyl-isoxazol-3-ylmethyl)-piperazin-1-yl]-3H-imidazo[4,5-b]pyridine
CID 46866788
2-(4-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766728
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
CID 137409201
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-N-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 137409210
N-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-ethoxyphenyl)ethyl]imidazo[1,2-a]pyridin-3-amine
CID 137409211
7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 146589040
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233156
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3233895

Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
The IUPAC name of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine (CID 117082606) is 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
The canonical SMILES for 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine is COc1ccc(CCNc2ncnc3nc(-c4c(C)noc4C)[nH]c23)cc1.
What is the InChIKey of 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
The InChIKey is QSSHAXKNHDPJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-15(12(2)27-25-11)17-23-16-18(21-10-22-19(16)24-17)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 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine?
8-(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 8-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 117082606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).