2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane

C11H19N3O — CID 143085645

IUPAC2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane
SMILESCC.CC.Cc1ncc2nc(C)oc2n1
InChIInChI=1S/C7H7N3O.2C2H6/c1-4-8-3-6-7(9-4)11-5(2)10-6;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyLBIBTIPZDLYAFE-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.29
Rot. Bonds

About 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane

2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane (PubChem CID 143085645) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane
PubChem CID143085645
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane
SMILESCC.CC.Cc1ncc2nc(C)oc2n1
InChIInChI=1S/C7H7N3O.2C2H6/c1-4-8-3-6-7(9-4)11-5(2)10-6;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyLBIBTIPZDLYAFE-UHFFFAOYSA-N
XLogP3.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane?
The IUPAC name of 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane (CID 143085645) is 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane.
What is the SMILES notation for 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane?
The canonical SMILES for 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane is CC.CC.Cc1ncc2nc(C)oc2n1.
What is the InChIKey of 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane?
The InChIKey is LBIBTIPZDLYAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O.2C2H6/c1-4-8-3-6-7(9-4)11-5(2)10-6;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane?
2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane has a molecular weight of 209.29 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidine;ethane is sourced from PubChem (CID 143085645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).