4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine

C14H16BrN5 — CID 146142672

IUPAC4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCN(c3cc(Br)ccn3)C2)n1
InChIInChI=1S/C14H16BrN5/c15-11-3-5-17-13(8-11)20-7-1-2-10(9-20)12-4-6-18-14(16)19-12/h3-6,8,10H,1-2,7,9H2,(H2,16,18,19)
InChIKeyJBQRSQXTIOVIFF-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.60
Rot. Bonds2

About 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine

4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 146142672) has the molecular formula C14H16BrN5 and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID146142672
Molecular FormulaC14H16BrN5
Molecular Weight334.22 g/mol
Exact Mass333.06
IUPAC Name4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCN(c3cc(Br)ccn3)C2)n1
InChIInChI=1S/C14H16BrN5/c15-11-3-5-17-13(8-11)20-7-1-2-10(9-20)12-4-6-18-14(16)19-12/h3-6,8,10H,1-2,7,9H2,(H2,16,18,19)
InChIKeyJBQRSQXTIOVIFF-UHFFFAOYSA-N
XLogP2.60
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine (CID 146142672) is 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine is Nc1nccc(C2CCCN(c3cc(Br)ccn3)C2)n1.
What is the InChIKey of 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is JBQRSQXTIOVIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5/c15-11-3-5-17-13(8-11)20-7-1-2-10(9-20)12-4-6-18-14(16)19-12/h3-6,8,10H,1-2,7,9H2,(H2,16,18,19).
What are the key properties of 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine?
4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 334.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-2-pyridinyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 146142672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).