5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine

C14H13BrCl2N2 — CID 79438939

IUPAC5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2/c1-8(2)7-11-18-13(16)12(14(17)19-11)9-5-3-4-6-10(9)15/h3-6,8H,7H2,1-2H3
InChIKeyLZRNEMIFQMFZPN-UHFFFAOYSA-N
MW360.08 g/mol
LogP5.41
Rot. Bonds3

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

5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine (PubChem CID 79438939) has the molecular formula C14H13BrCl2N2 and a molecular weight of 360.08 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
PubChem CID79438939
Molecular FormulaC14H13BrCl2N2
Molecular Weight360.08 g/mol
Exact Mass357.96
IUPAC Name5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2/c1-8(2)7-11-18-13(16)12(14(17)19-11)9-5-3-4-6-10(9)15/h3-6,8H,7H2,1-2H3
InChIKeyLZRNEMIFQMFZPN-UHFFFAOYSA-N
XLogP5.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.08
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine?
The IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine (CID 79438939) is 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine is CC(C)Cc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1.
What is the InChIKey of 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine?
The InChIKey is LZRNEMIFQMFZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2/c1-8(2)7-11-18-13(16)12(14(17)19-11)9-5-3-4-6-10(9)15/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine?
5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine has a molecular weight of 360.08 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 79438939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).