4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine

C11H16Br2N2O — CID 116706766

IUPAC4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
SMILESCCOC(c1nc(Br)cc(Br)n1)C(C)(C)C
InChIInChI=1S/C11H16Br2N2O/c1-5-16-9(11(2,3)4)10-14-7(12)6-8(13)15-10/h6,9H,5H2,1-4H3
InChIKeyMCWIIAATQFTJOE-UHFFFAOYSA-N
MW352.07 g/mol
LogP4.13
Rot. Bonds3

About 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine

4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine (PubChem CID 116706766) has the molecular formula C11H16Br2N2O and a molecular weight of 352.07 g/mol. Its IUPAC name is 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
PubChem CID116706766
Molecular FormulaC11H16Br2N2O
Molecular Weight352.07 g/mol
Exact Mass349.96
IUPAC Name4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
SMILESCCOC(c1nc(Br)cc(Br)n1)C(C)(C)C
InChIInChI=1S/C11H16Br2N2O/c1-5-16-9(11(2,3)4)10-14-7(12)6-8(13)15-10/h6,9H,5H2,1-4H3
InChIKeyMCWIIAATQFTJOE-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.07
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine?
The IUPAC name of 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine (CID 116706766) is 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine.
What is the SMILES notation for 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine?
The canonical SMILES for 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine is CCOC(c1nc(Br)cc(Br)n1)C(C)(C)C.
What is the InChIKey of 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine?
The InChIKey is MCWIIAATQFTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O/c1-5-16-9(11(2,3)4)10-14-7(12)6-8(13)15-10/h6,9H,5H2,1-4H3.
What are the key properties of 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine?
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine has a molecular weight of 352.07 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine is sourced from PubChem (CID 116706766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).