5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine

C12H9BrCl2N2O2 — CID 66313968

IUPAC5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
SMILESCOc1cc(OC)cc(-c2nc(Cl)c(Br)c(Cl)n2)c1
InChIInChI=1S/C12H9BrCl2N2O2/c1-18-7-3-6(4-8(5-7)19-2)12-16-10(14)9(13)11(15)17-12/h3-5H,1-2H3
InChIKeyATYDKXCBSLROQR-UHFFFAOYSA-N
MW364.03 g/mol
LogP4.23
Rot. Bonds3

About 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine

5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine (PubChem CID 66313968) has the molecular formula C12H9BrCl2N2O2 and a molecular weight of 364.03 g/mol. Its IUPAC name is 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
PubChem CID66313968
Molecular FormulaC12H9BrCl2N2O2
Molecular Weight364.03 g/mol
Exact Mass361.92
IUPAC Name5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine
SMILESCOc1cc(OC)cc(-c2nc(Cl)c(Br)c(Cl)n2)c1
InChIInChI=1S/C12H9BrCl2N2O2/c1-18-7-3-6(4-8(5-7)19-2)12-16-10(14)9(13)11(15)17-12/h3-5H,1-2H3
InChIKeyATYDKXCBSLROQR-UHFFFAOYSA-N
XLogP4.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine?
The IUPAC name of 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine (CID 66313968) is 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine.
What is the SMILES notation for 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine?
The canonical SMILES for 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine is COc1cc(OC)cc(-c2nc(Cl)c(Br)c(Cl)n2)c1.
What is the InChIKey of 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine?
The InChIKey is ATYDKXCBSLROQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O2/c1-18-7-3-6(4-8(5-7)19-2)12-16-10(14)9(13)11(15)17-12/h3-5H,1-2H3.
What are the key properties of 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine?
5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine has a molecular weight of 364.03 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dichloro-2-(3,5-dimethoxyphenyl)pyrimidine is sourced from PubChem (CID 66313968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).