N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine

C10H14BrN3 — CID 127013374

IUPACN-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine
SMILESCC(NC1CCC1)c1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3/c1-7(14-9-3-2-4-9)10-12-5-8(11)6-13-10/h5-7,9,14H,2-4H2,1H3
InChIKeyOYEIKBJLWXSQMN-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.44
Rot. Bonds3

About N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine

N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine (PubChem CID 127013374) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine
PubChem CID127013374
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC NameN-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine
SMILESCC(NC1CCC1)c1ncc(Br)cn1
InChIInChI=1S/C10H14BrN3/c1-7(14-9-3-2-4-9)10-12-5-8(11)6-13-10/h5-7,9,14H,2-4H2,1H3
InChIKeyOYEIKBJLWXSQMN-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine?
The IUPAC name of N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine (CID 127013374) is N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine.
What is the SMILES notation for N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine?
The canonical SMILES for N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine is CC(NC1CCC1)c1ncc(Br)cn1.
What is the InChIKey of N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine?
The InChIKey is OYEIKBJLWXSQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-7(14-9-3-2-4-9)10-12-5-8(11)6-13-10/h5-7,9,14H,2-4H2,1H3.
What are the key properties of N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine?
N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine has a molecular weight of 256.15 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromopyrimidin-2-yl)ethyl]cyclobutanamine is sourced from PubChem (CID 127013374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).