2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine

C10H15BrN2 — CID 176738961

IUPAC2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine
SMILESCC(c1ccnc(Br)n1)C(C)(C)C
InChIInChI=1S/C10H15BrN2/c1-7(10(2,3)4)8-5-6-12-9(11)13-8/h5-7H,1-4H3
InChIKeyFQZTXUCVOQHIHA-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.39
Rot. Bonds1

About 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine

2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine (PubChem CID 176738961) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine
PubChem CID176738961
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine
SMILESCC(c1ccnc(Br)n1)C(C)(C)C
InChIInChI=1S/C10H15BrN2/c1-7(10(2,3)4)8-5-6-12-9(11)13-8/h5-7H,1-4H3
InChIKeyFQZTXUCVOQHIHA-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine?
The IUPAC name of 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine (CID 176738961) is 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine.
What is the SMILES notation for 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine?
The canonical SMILES for 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine is CC(c1ccnc(Br)n1)C(C)(C)C.
What is the InChIKey of 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine?
The InChIKey is FQZTXUCVOQHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7(10(2,3)4)8-5-6-12-9(11)13-8/h5-7H,1-4H3.
What are the key properties of 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine?
2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine has a molecular weight of 243.15 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,3-dimethylbutan-2-yl)pyrimidine is sourced from PubChem (CID 176738961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).