5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine

C10H15BrN2O2 — CID 106666429

IUPAC5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine
SMILESCOC(C)(C)CCOc1ncncc1Br
InChIInChI=1S/C10H15BrN2O2/c1-10(2,14-3)4-5-15-9-8(11)6-12-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyGVUBBLATKBJRES-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.43
Rot. Bonds5

About 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine

5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine (PubChem CID 106666429) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine
PubChem CID106666429
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine
SMILESCOC(C)(C)CCOc1ncncc1Br
InChIInChI=1S/C10H15BrN2O2/c1-10(2,14-3)4-5-15-9-8(11)6-12-7-13-9/h6-7H,4-5H2,1-3H3
InChIKeyGVUBBLATKBJRES-UHFFFAOYSA-N
XLogP2.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine (CID 106666429) is 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine is COC(C)(C)CCOc1ncncc1Br.
What is the InChIKey of 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine?
The InChIKey is GVUBBLATKBJRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-10(2,14-3)4-5-15-9-8(11)6-12-7-13-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine?
5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine has a molecular weight of 275.15 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methoxy-3-methylbutoxy)pyrimidine is sourced from PubChem (CID 106666429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).