2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

C11H16N2O2 — CID 58602745

IUPAC2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
SMILESCC(C)(C)Cc1ncc2c(n1)OCCO2
InChIInChI=1S/C11H16N2O2/c1-11(2,3)6-9-12-7-8-10(13-9)15-5-4-14-8/h7H,4-6H2,1-3H3
InChIKeyAKNZEJMNPBOOLW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine

2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine (PubChem CID 58602745) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
PubChem CID58602745
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
SMILESCC(C)(C)Cc1ncc2c(n1)OCCO2
InChIInChI=1S/C11H16N2O2/c1-11(2,3)6-9-12-7-8-10(13-9)15-5-4-14-8/h7H,4-6H2,1-3H3
InChIKeyAKNZEJMNPBOOLW-UHFFFAOYSA-N
XLogP1.84
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The IUPAC name of 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine (CID 58602745) is 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine is CC(C)(C)Cc1ncc2c(n1)OCCO2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
The InChIKey is AKNZEJMNPBOOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)6-9-12-7-8-10(13-9)15-5-4-14-8/h7H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine?
2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine has a molecular weight of 208.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine is sourced from PubChem (CID 58602745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).