5-bromo-N-piperidin-1-ylpyrimidin-4-amine

C9H13BrN4 — CID 81333698

IUPAC5-bromo-N-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1cncnc1NN1CCCCC1
InChIInChI=1S/C9H13BrN4/c10-8-6-11-7-12-9(8)13-14-4-2-1-3-5-14/h6-7H,1-5H2,(H,11,12,13)
InChIKeyJYJVGLVAOBZQIS-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.05
Rot. Bonds2

About 5-bromo-N-piperidin-1-ylpyrimidin-4-amine

5-bromo-N-piperidin-1-ylpyrimidin-4-amine (PubChem CID 81333698) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-N-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-piperidin-1-ylpyrimidin-4-amine
PubChem CID81333698
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name5-bromo-N-piperidin-1-ylpyrimidin-4-amine
SMILESBrc1cncnc1NN1CCCCC1
InChIInChI=1S/C9H13BrN4/c10-8-6-11-7-12-9(8)13-14-4-2-1-3-5-14/h6-7H,1-5H2,(H,11,12,13)
InChIKeyJYJVGLVAOBZQIS-UHFFFAOYSA-N
XLogP2.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-piperidin-1-ylpyrimidin-4-amine (CID 81333698) is 5-bromo-N-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-piperidin-1-ylpyrimidin-4-amine is Brc1cncnc1NN1CCCCC1.
What is the InChIKey of 5-bromo-N-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is JYJVGLVAOBZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c10-8-6-11-7-12-9(8)13-14-4-2-1-3-5-14/h6-7H,1-5H2,(H,11,12,13).
What are the key properties of 5-bromo-N-piperidin-1-ylpyrimidin-4-amine?
5-bromo-N-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 257.13 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 81333698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).