4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine

C11H13Br2N5 — CID 106463650

IUPAC4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine
SMILESCn1nnc(Br)c1-c1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C11H13Br2N5/c1-11(2,3)10-14-6(5-7(12)15-10)8-9(13)16-17-18(8)4/h5H,1-4H3
InChIKeyVHNLOMCGMSVBCJ-UHFFFAOYSA-N
MW375.07 g/mol
LogP3.09
Rot. Bonds1

About 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine

4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine (PubChem CID 106463650) has the molecular formula C11H13Br2N5 and a molecular weight of 375.07 g/mol. Its IUPAC name is 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine
PubChem CID106463650
Molecular FormulaC11H13Br2N5
Molecular Weight375.07 g/mol
Exact Mass372.95
IUPAC Name4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine
SMILESCn1nnc(Br)c1-c1cc(Br)nc(C(C)(C)C)n1
InChIInChI=1S/C11H13Br2N5/c1-11(2,3)10-14-6(5-7(12)15-10)8-9(13)16-17-18(8)4/h5H,1-4H3
InChIKeyVHNLOMCGMSVBCJ-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.07
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine?
The IUPAC name of 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine (CID 106463650) is 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine.
What is the SMILES notation for 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine?
The canonical SMILES for 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine is Cn1nnc(Br)c1-c1cc(Br)nc(C(C)(C)C)n1.
What is the InChIKey of 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine?
The InChIKey is VHNLOMCGMSVBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2N5/c1-11(2,3)10-14-6(5-7(12)15-10)8-9(13)16-17-18(8)4/h5H,1-4H3.
What are the key properties of 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine?
4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine has a molecular weight of 375.07 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(5-bromo-3-methyltriazol-4-yl)-2-tert-butylpyrimidine is sourced from PubChem (CID 106463650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).