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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Related Compounds

5-bromo-4-tert-butyl-6-chloro-2-(3-methoxyphenyl)pyrimidine
CID 66293580
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 83240805
5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425
5-bromo-4,6-dichloro-2-(3,4,5-trifluorophenyl)pyrimidine
CID 66314958
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
3-bromo-2,4-dichloro-6,8-dimethoxyquinoline
CID 97181901
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
2,6-dibromo-4-methoxypyridine
CID 10901569
6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591070
6-bromo-4-chloro-7-fluoro-2-(3-methoxyphenyl)quinazoline
CID 114591292
5-bromo-4-tert-butyl-6-chloro-2-(3-ethoxyphenyl)pyrimidine
CID 66293166

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).