5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine

C15H18BrN5 — CID 71996356

IUPAC5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(N2CCC(Nc3ncc(Br)cn3)CC2)nc1
InChIInChI=1S/C15H18BrN5/c1-11-2-3-14(17-8-11)21-6-4-13(5-7-21)20-15-18-9-12(16)10-19-15/h2-3,8-10,13H,4-7H2,1H3,(H,18,19,20)
InChIKeyYNPWGFGURYZIIJ-UHFFFAOYSA-N
MW348.25 g/mol
LogP3.02
Rot. Bonds3

About 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine

5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 71996356) has the molecular formula C15H18BrN5 and a molecular weight of 348.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID71996356
Molecular FormulaC15H18BrN5
Molecular Weight348.25 g/mol
Exact Mass347.07
IUPAC Name5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCc1ccc(N2CCC(Nc3ncc(Br)cn3)CC2)nc1
InChIInChI=1S/C15H18BrN5/c1-11-2-3-14(17-8-11)21-6-4-13(5-7-21)20-15-18-9-12(16)10-19-15/h2-3,8-10,13H,4-7H2,1H3,(H,18,19,20)
InChIKeyYNPWGFGURYZIIJ-UHFFFAOYSA-N
XLogP3.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine (CID 71996356) is 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine is Cc1ccc(N2CCC(Nc3ncc(Br)cn3)CC2)nc1.
What is the InChIKey of 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is YNPWGFGURYZIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5/c1-11-2-3-14(17-8-11)21-6-4-13(5-7-21)20-15-18-9-12(16)10-19-15/h2-3,8-10,13H,4-7H2,1H3,(H,18,19,20).
What are the key properties of 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine?
5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 348.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 71996356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).