5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine

C13H13BrClN3 — CID 66295020

IUPAC5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
SMILESCC(C)(C)c1nc(-c2ccncc2)nc(Cl)c1Br
InChIInChI=1S/C13H13BrClN3/c1-13(2,3)10-9(14)11(15)18-12(17-10)8-4-6-16-7-5-8/h4-7H,1-3H3
InChIKeyUNTLCFCCNZNUIZ-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.25
Rot. Bonds1

About 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine

5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine (PubChem CID 66295020) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
PubChem CID66295020
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine
SMILESCC(C)(C)c1nc(-c2ccncc2)nc(Cl)c1Br
InChIInChI=1S/C13H13BrClN3/c1-13(2,3)10-9(14)11(15)18-12(17-10)8-4-6-16-7-5-8/h4-7H,1-3H3
InChIKeyUNTLCFCCNZNUIZ-UHFFFAOYSA-N
XLogP4.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine (CID 66295020) is 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine is CC(C)(C)c1nc(-c2ccncc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine?
The InChIKey is UNTLCFCCNZNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-13(2,3)10-9(14)11(15)18-12(17-10)8-4-6-16-7-5-8/h4-7H,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine?
5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine has a molecular weight of 326.63 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-6-chloro-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 66295020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).