5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine

C12H18BrN3 — CID 66307600

IUPAC5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(C2CCC2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3/c1-12(2,3)9-8(13)10(14)16-11(15-9)7-5-4-6-7/h7H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyWSQVUPRLHFWHHE-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.39
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine (PubChem CID 66307600) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
PubChem CID66307600
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(C2CCC2)nc(N)c1Br
InChIInChI=1S/C12H18BrN3/c1-12(2,3)9-8(13)10(14)16-11(15-9)7-5-4-6-7/h7H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyWSQVUPRLHFWHHE-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine (CID 66307600) is 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine is CC(C)(C)c1nc(C2CCC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine?
The InChIKey is WSQVUPRLHFWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-12(2,3)9-8(13)10(14)16-11(15-9)7-5-4-6-7/h7H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-cyclobutylpyrimidin-4-amine is sourced from PubChem (CID 66307600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).