5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine

C14H13BrCl2N2 — CID 79440195

IUPAC5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine
SMILESCC(C)(C)c1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2/c1-14(2,3)13-18-11(16)10(12(17)19-13)8-5-4-6-9(15)7-8/h4-7H,1-3H3
InChIKeyOBAQLOBDHNYSCK-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.51
Rot. Bonds1

About 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine

5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine (PubChem CID 79440195) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine
PubChem CID79440195
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine
SMILESCC(C)(C)c1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2/c1-14(2,3)13-18-11(16)10(12(17)19-13)8-5-4-6-9(15)7-8/h4-7H,1-3H3
InChIKeyOBAQLOBDHNYSCK-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Trichloro-5-phenylpyrimidine
CID 249013
4,6-Dichloro-2,5-diphenylpyrimidine
CID 4116137
5-(4-Bromophenyl)-4,6-dichloropyrimidine
CID 19735262
5-Benzyl-2,4,6-trichloropyrimidine
CID 260789
4,6-Dichloro-5-ethyl-2-phenylpyrimidine
CID 19690713
4,6-Dichloro-5-phenyl-2-pyrimidinamine
CID 840767
2-(4-Bromophenyl)-4-chloro-6-methylpyrimidine
CID 625103
4,6-Dichloro-2-methyl-5-phenylpyrimidine
CID 617274
4-(3-Bromophenyl)-2,6-dichloro-5-methylpyrimidine
CID 22308450
4-(4-Bromophenyl)-2,6-dichloro-5-methylpyrimidine
CID 65710061
4-(3-Bromophenyl)-2,6-dichloropyrimidine
CID 65711884
4,6-Dichloro-5-(2-chlorophenyl)-2-(2-methylcyclopropyl)pyrimidine
CID 79439122

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine?
The IUPAC name of 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine (CID 79440195) is 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine.
What is the SMILES notation for 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine?
The canonical SMILES for 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine is CC(C)(C)c1nc(Cl)c(-c2cccc(Br)c2)c(Cl)n1.
What is the InChIKey of 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine?
The InChIKey is OBAQLOBDHNYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-14(2,3)13-18-11(16)10(12(17)19-13)8-5-4-6-9(15)7-8/h4-7H,1-3H3.
What are the key properties of 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine?
5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine has a molecular weight of 360.08 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine is sourced from PubChem (CID 79440195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).