1-(5-bromopyrimidin-2-yl)azetidin-3-amine

C7H9BrN4 — CID 63873842

IUPAC1-(5-bromopyrimidin-2-yl)azetidin-3-amine
SMILESNC1CN(c2ncc(Br)cn2)C1
InChIInChI=1S/C7H9BrN4/c8-5-1-10-7(11-2-5)12-3-6(9)4-12/h1-2,6H,3-4,9H2
InChIKeyFEAUORLVQSVDQW-UHFFFAOYSA-N
MW229.08 g/mol
LogP0.39
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)azetidin-3-amine

1-(5-bromopyrimidin-2-yl)azetidin-3-amine (PubChem CID 63873842) has the molecular formula C7H9BrN4 and a molecular weight of 229.08 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)azetidin-3-amine
PubChem CID63873842
Molecular FormulaC7H9BrN4
Molecular Weight229.08 g/mol
Exact Mass228.00
IUPAC Name1-(5-bromopyrimidin-2-yl)azetidin-3-amine
SMILESNC1CN(c2ncc(Br)cn2)C1
InChIInChI=1S/C7H9BrN4/c8-5-1-10-7(11-2-5)12-3-6(9)4-12/h1-2,6H,3-4,9H2
InChIKeyFEAUORLVQSVDQW-UHFFFAOYSA-N
XLogP0.39
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)azetidin-3-amine?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)azetidin-3-amine (CID 63873842) is 1-(5-bromopyrimidin-2-yl)azetidin-3-amine.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)azetidin-3-amine?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)azetidin-3-amine is NC1CN(c2ncc(Br)cn2)C1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)azetidin-3-amine?
The InChIKey is FEAUORLVQSVDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4/c8-5-1-10-7(11-2-5)12-3-6(9)4-12/h1-2,6H,3-4,9H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)azetidin-3-amine?
1-(5-bromopyrimidin-2-yl)azetidin-3-amine has a molecular weight of 229.08 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)azetidin-3-amine is sourced from PubChem (CID 63873842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).