[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine

C10H15BrN4 — CID 63872286

IUPAC[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1ncc(Br)cn1
InChIInChI=1S/C10H15BrN4/c11-8-6-13-10(14-7-8)15-4-2-1-3-9(15)5-12/h6-7,9H,1-5,12H2
InChIKeyJQEALPMPWUXNRJ-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.56
Rot. Bonds2

About [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine

[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine (PubChem CID 63872286) has the molecular formula C10H15BrN4 and a molecular weight of 271.16 g/mol. Its IUPAC name is [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
PubChem CID63872286
Molecular FormulaC10H15BrN4
Molecular Weight271.16 g/mol
Exact Mass270.05
IUPAC Name[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
SMILESNCC1CCCCN1c1ncc(Br)cn1
InChIInChI=1S/C10H15BrN4/c11-8-6-13-10(14-7-8)15-4-2-1-3-9(15)5-12/h6-7,9H,1-5,12H2
InChIKeyJQEALPMPWUXNRJ-UHFFFAOYSA-N
XLogP1.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.56
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)piperidin-2-yl]methanamine?
The IUPAC name of [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine (CID 63872286) is [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine is NCC1CCCCN1c1ncc(Br)cn1.
What is the InChIKey of [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine?
The InChIKey is JQEALPMPWUXNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4/c11-8-6-13-10(14-7-8)15-4-2-1-3-9(15)5-12/h6-7,9H,1-5,12H2.
What are the key properties of [1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine?
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine has a molecular weight of 271.16 g/mol, XLogP of 1.56, 2 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)piperidin-2-yl]methanamine is sourced from PubChem (CID 63872286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).