5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine

C14H14BrClN2O — CID 66314007

IUPAC5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
SMILESCCc1nc(-c2ccccc2COC)nc(Cl)c1Br
InChIInChI=1S/C14H14BrClN2O/c1-3-11-12(15)13(16)18-14(17-11)10-7-5-4-6-9(10)8-19-2/h4-7H,3,8H2,1-2H3
InChIKeyRDHZWNNVYDLDDS-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.27
Rot. Bonds4

About 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine

5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine (PubChem CID 66314007) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
PubChem CID66314007
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
SMILESCCc1nc(-c2ccccc2COC)nc(Cl)c1Br
InChIInChI=1S/C14H14BrClN2O/c1-3-11-12(15)13(16)18-14(17-11)10-7-5-4-6-9(10)8-19-2/h4-7H,3,8H2,1-2H3
InChIKeyRDHZWNNVYDLDDS-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
CID 66312435
4-chloro-6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66313429
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
CID 66311864
4-[5-bromo-4-chloro-6-(methoxymethyl)pyrimidin-2-yl]isoquinoline
CID 104504524
4-chloro-5-iodo-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidine
CID 66313014
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
5-bromo-N-ethyl-2-[2-(methoxymethyl)phenyl]-6-methylpyrimidin-4-amine
CID 66297841
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 66300377

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine (CID 66314007) is 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine is CCc1nc(-c2ccccc2COC)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine?
The InChIKey is RDHZWNNVYDLDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-3-11-12(15)13(16)18-14(17-11)10-7-5-4-6-9(10)8-19-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine?
5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine has a molecular weight of 341.64 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine is sourced from PubChem (CID 66314007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).