1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine

C8H12BrN3 — CID 66764585

IUPAC1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3/c1-8(2,10)3-7-11-4-6(9)5-12-7/h4-5H,3,10H2,1-2H3
InChIKeyKTOXKOJDWBDFCO-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.52
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine

1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine (PubChem CID 66764585) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine
PubChem CID66764585
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC Name1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1ncc(Br)cn1
InChIInChI=1S/C8H12BrN3/c1-8(2,10)3-7-11-4-6(9)5-12-7/h4-5H,3,10H2,1-2H3
InChIKeyKTOXKOJDWBDFCO-UHFFFAOYSA-N
XLogP1.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine (CID 66764585) is 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine?
The InChIKey is KTOXKOJDWBDFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-8(2,10)3-7-11-4-6(9)5-12-7/h4-5H,3,10H2,1-2H3.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine?
1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine has a molecular weight of 230.11 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 66764585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).