6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine

C19H25N7O — CID 165075826

IUPAC6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCC(C)(C)c1ncnc2ocnc12.Cn1cnc2ncnc(C(C)(C)C)c21
InChIInChI=1S/C10H14N4.C9H11N3O/c1-10(2,3)8-7-9(12-5-11-8)13-6-14(7)4;1-9(2,3)7-6-8(11-4-10-7)13-5-12-6/h5-6H,1-4H3;4-5H,1-3H3
InChIKeyUHBXVWFAHHIUPS-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.58
Rot. Bonds

About 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine

6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine (PubChem CID 165075826) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine
PubChem CID165075826
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine
SMILESCC(C)(C)c1ncnc2ocnc12.Cn1cnc2ncnc(C(C)(C)C)c21
InChIInChI=1S/C10H14N4.C9H11N3O/c1-10(2,3)8-7-9(12-5-11-8)13-6-14(7)4;1-9(2,3)7-6-8(11-4-10-7)13-5-12-6/h5-6H,1-4H3;4-5H,1-3H3
InChIKeyUHBXVWFAHHIUPS-UHFFFAOYSA-N
XLogP3.58
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine?
The IUPAC name of 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine (CID 165075826) is 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine is CC(C)(C)c1ncnc2ocnc12.Cn1cnc2ncnc(C(C)(C)C)c21.
What is the InChIKey of 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine?
The InChIKey is UHBXVWFAHHIUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4.C9H11N3O/c1-10(2,3)8-7-9(12-5-11-8)13-6-14(7)4;1-9(2,3)7-6-8(11-4-10-7)13-5-12-6/h5-6H,1-4H3;4-5H,1-3H3.
What are the key properties of 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine?
6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine has a molecular weight of 367.46 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-7-methylpurine;7-tert-butyl-[1,3]oxazolo[5,4-d]pyrimidine is sourced from PubChem (CID 165075826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).