5-bromo-N-tert-butylpyrimidin-4-amine

C8H12BrN3 — CID 66342129

IUPAC5-bromo-N-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)Nc1ncncc1Br
InChIInChI=1S/C8H12BrN3/c1-8(2,3)12-7-6(9)4-10-5-11-7/h4-5H,1-3H3,(H,10,11,12)
InChIKeyYFADHQOBQOXYIH-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-N-tert-butylpyrimidin-4-amine

5-bromo-N-tert-butylpyrimidin-4-amine (PubChem CID 66342129) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 5-bromo-N-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-tert-butylpyrimidin-4-amine
PubChem CID66342129
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name5-bromo-N-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)Nc1ncncc1Br
InChIInChI=1S/C8H12BrN3/c1-8(2,3)12-7-6(9)4-10-5-11-7/h4-5H,1-3H3,(H,10,11,12)
InChIKeyYFADHQOBQOXYIH-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-tert-butylpyrimidin-4-amine (CID 66342129) is 5-bromo-N-tert-butylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-tert-butylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-tert-butylpyrimidin-4-amine is CC(C)(C)Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-tert-butylpyrimidin-4-amine?
The InChIKey is YFADHQOBQOXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-8(2,3)12-7-6(9)4-10-5-11-7/h4-5H,1-3H3,(H,10,11,12).
What are the key properties of 5-bromo-N-tert-butylpyrimidin-4-amine?
5-bromo-N-tert-butylpyrimidin-4-amine has a molecular weight of 230.11 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 66342129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).