2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine

C13H13BrClN3 — CID 113398187

IUPAC2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ncccc2Br)n1
InChIInChI=1S/C13H13BrClN3/c1-13(2,3)9-7-10(15)18-12(17-9)11-8(14)5-4-6-16-11/h4-7H,1-3H3
InChIKeyKXWYVGDHARJXAC-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.25
Rot. Bonds1

About 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine

2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine (PubChem CID 113398187) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
PubChem CID113398187
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine
SMILESCC(C)(C)c1cc(Cl)nc(-c2ncccc2Br)n1
InChIInChI=1S/C13H13BrClN3/c1-13(2,3)9-7-10(15)18-12(17-9)11-8(14)5-4-6-16-11/h4-7H,1-3H3
InChIKeyKXWYVGDHARJXAC-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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Related Compounds

2-(4-bromophenyl)-4-tert-butyl-6-chloropyrimidine
CID 43557541
4-tert-butyl-6-chloro-2-(4-fluorophenyl)pyrimidine
CID 43557554
[6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-yl]hydrazine
CID 62251619
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
2-(4-tert-butyl-6-chloropyrimidin-2-yl)-5-chloro-1,3-thiazole
CID 107124671
4-tert-butyl-6-chloro-2-(2-chloro-4-fluorophenyl)pyrimidine
CID 62946502
2-[2-(3-bromo-2-pyridinyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 113398737
3-bromo-2-(2,4-dimethylphenyl)pyridine
CID 83920163
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
5-bromo-2-(3-bromo-2-pyridinyl)-4-tert-butyl-1H-pyrimidin-6-one
CID 136715427
3-bromo-2-chloropyridine
CID 693324
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-chlorophenol
CID 106503442

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine (CID 113398187) is 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine is CC(C)(C)c1cc(Cl)nc(-c2ncccc2Br)n1.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine?
The InChIKey is KXWYVGDHARJXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-13(2,3)9-7-10(15)18-12(17-9)11-8(14)5-4-6-16-11/h4-7H,1-3H3.
What are the key properties of 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine?
2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine 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 2-(3-bromo-2-pyridinyl)-4-tert-butyl-6-chloropyrimidine is sourced from PubChem (CID 113398187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).