2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine

C13H11BrCl2N2O — CID 63613498

IUPAC2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(-c2cc(Br)ccc2OC)nc1Cl
InChIInChI=1S/C13H11BrCl2N2O/c1-3-8-11(15)17-13(18-12(8)16)9-6-7(14)4-5-10(9)19-2/h4-6H,3H2,1-2H3
InChIKeyRZQFNIYMZYIALL-UHFFFAOYSA-N
MW362.05 g/mol
LogP4.78
Rot. Bonds3

About 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine (PubChem CID 63613498) has the molecular formula C13H11BrCl2N2O and a molecular weight of 362.05 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
PubChem CID63613498
Molecular FormulaC13H11BrCl2N2O
Molecular Weight362.05 g/mol
Exact Mass359.94
IUPAC Name2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine
SMILESCCc1c(Cl)nc(-c2cc(Br)ccc2OC)nc1Cl
InChIInChI=1S/C13H11BrCl2N2O/c1-3-8-11(15)17-13(18-12(8)16)9-6-7(14)4-5-10(9)19-2/h4-6H,3H2,1-2H3
InChIKeyRZQFNIYMZYIALL-UHFFFAOYSA-N
XLogP4.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550488
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 63612519
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodo-6-methylpyrimidine
CID 66312627
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
2-[4-bromo-2-(trifluoromethyl)phenyl]-4,6-dichloro-5-ethylpyrimidine
CID 63611310
5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295402
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
3-(5-bromo-2-methoxyphenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 82489906
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 62320244
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
5-bromo-4-(5-bromo-2-methoxyphenyl)-6-chloropyrimidin-2-amine
CID 24946892
3-(5-bromo-2-methoxyphenyl)-5-propan-2-yl-1H-1,2,4-triazole
CID 82490051

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine (CID 63613498) is 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine is CCc1c(Cl)nc(-c2cc(Br)ccc2OC)nc1Cl.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine?
The InChIKey is RZQFNIYMZYIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrCl2N2O/c1-3-8-11(15)17-13(18-12(8)16)9-6-7(14)4-5-10(9)19-2/h4-6H,3H2,1-2H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine?
2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine has a molecular weight of 362.05 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-4,6-dichloro-5-ethylpyrimidine is sourced from PubChem (CID 63613498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).