N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine

C14H15BrClN5 — CID 171627312

IUPACN-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine
SMILESClc1cnc(Nc2cncc(Br)c2)nc1N1CCCCC1
InChIInChI=1S/C14H15BrClN5/c15-10-6-11(8-17-7-10)19-14-18-9-12(16)13(20-14)21-4-2-1-3-5-21/h6-9H,1-5H2,(H,18,19,20)
InChIKeyUXTRCAYBQHKHOZ-UHFFFAOYSA-N
MW368.67 g/mol
LogP4.02
Rot. Bonds3

About N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine

N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 171627312) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID171627312
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC NameN-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine
SMILESClc1cnc(Nc2cncc(Br)c2)nc1N1CCCCC1
InChIInChI=1S/C14H15BrClN5/c15-10-6-11(8-17-7-10)19-14-18-9-12(16)13(20-14)21-4-2-1-3-5-21/h6-9H,1-5H2,(H,18,19,20)
InChIKeyUXTRCAYBQHKHOZ-UHFFFAOYSA-N
XLogP4.02
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine (CID 171627312) is N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine is Clc1cnc(Nc2cncc(Br)c2)nc1N1CCCCC1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is UXTRCAYBQHKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c15-10-6-11(8-17-7-10)19-14-18-9-12(16)13(20-14)21-4-2-1-3-5-21/h6-9H,1-5H2,(H,18,19,20).
What are the key properties of N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine?
N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 368.67 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 171627312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).