2-(3,4-dichlorophenyl)-5-methoxypyrimidine

C11H8Cl2N2O — CID 118808074

IUPAC2-(3,4-dichlorophenyl)-5-methoxypyrimidine
SMILESCOc1cnc(-c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-5-14-11(15-6-8)7-2-3-9(12)10(13)4-7/h2-6H,1H3
InChIKeyRMTZVUFPFMEQKN-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-5-methoxypyrimidine

2-(3,4-dichlorophenyl)-5-methoxypyrimidine (PubChem CID 118808074) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methoxypyrimidine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methoxypyrimidine
PubChem CID118808074
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2-(3,4-dichlorophenyl)-5-methoxypyrimidine
SMILESCOc1cnc(-c2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-5-14-11(15-6-8)7-2-3-9(12)10(13)4-7/h2-6H,1H3
InChIKeyRMTZVUFPFMEQKN-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methoxypyrimidine?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methoxypyrimidine (CID 118808074) is 2-(3,4-dichlorophenyl)-5-methoxypyrimidine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methoxypyrimidine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methoxypyrimidine is COc1cnc(-c2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methoxypyrimidine?
The InChIKey is RMTZVUFPFMEQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-8-5-14-11(15-6-8)7-2-3-9(12)10(13)4-7/h2-6H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methoxypyrimidine?
2-(3,4-dichlorophenyl)-5-methoxypyrimidine has a molecular weight of 255.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methoxypyrimidine is sourced from PubChem (CID 118808074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).