5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine

C14H13BrCl2N2O — CID 79438216

IUPAC5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine
SMILESCOC(C)(C)c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2O/c1-14(2,20-3)13-18-11(16)10(12(17)19-13)8-4-6-9(15)7-5-8/h4-7H,1-3H3
InChIKeyLLHFOWUAZLBUHG-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.09
Rot. Bonds3

About 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine

5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine (PubChem CID 79438216) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine
PubChem CID79438216
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC Name5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine
SMILESCOC(C)(C)c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2O/c1-14(2,20-3)13-18-11(16)10(12(17)19-13)8-4-6-9(15)7-5-8/h4-7H,1-3H3
InChIKeyLLHFOWUAZLBUHG-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine (CID 79438216) is 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine is COC(C)(C)c1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1.
What is the InChIKey of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine?
The InChIKey is LLHFOWUAZLBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-14(2,20-3)13-18-11(16)10(12(17)19-13)8-4-6-9(15)7-5-8/h4-7H,1-3H3.
What are the key properties of 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine?
5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine has a molecular weight of 376.08 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4,6-dichloro-2-(2-methoxypropan-2-yl)pyrimidine is sourced from PubChem (CID 79438216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).