4-(2,4-dichlorophenyl)-6-methoxypyrimidine

C11H8Cl2N2O — CID 50971015

IUPAC4-(2,4-dichlorophenyl)-6-methoxypyrimidine
SMILESCOc1cc(-c2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C11H8Cl2N2O/c1-16-11-5-10(14-6-15-11)8-3-2-7(12)4-9(8)13/h2-6H,1H3
InChIKeyJNZKYGMBDJGJQZ-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-6-methoxypyrimidine

4-(2,4-dichlorophenyl)-6-methoxypyrimidine (PubChem CID 50971015) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-methoxypyrimidine
PubChem CID50971015
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name4-(2,4-dichlorophenyl)-6-methoxypyrimidine
SMILESCOc1cc(-c2ccc(Cl)cc2Cl)ncn1
InChIInChI=1S/C11H8Cl2N2O/c1-16-11-5-10(14-6-15-11)8-3-2-7(12)4-9(8)13/h2-6H,1H3
InChIKeyJNZKYGMBDJGJQZ-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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Related Compounds

4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine
CID 118277786
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 102949514
4-[2-(4-bromotriazol-1-yl)-5-chlorophenyl]-6-methoxypyrimidine
CID 118277210
N-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 118277138
2-(6-methoxypyrimidin-4-yl)phenol
CID 608793
2-(2,4-dichlorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950327
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-dimethylsulfanium
CID 146838452
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
CID 118277361
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-methoxypyrimidine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-methoxypyrimidine (CID 50971015) is 4-(2,4-dichlorophenyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-methoxypyrimidine is COc1cc(-c2ccc(Cl)cc2Cl)ncn1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-methoxypyrimidine?
The InChIKey is JNZKYGMBDJGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-11-5-10(14-6-15-11)8-3-2-7(12)4-9(8)13/h2-6H,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-6-methoxypyrimidine?
4-(2,4-dichlorophenyl)-6-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 4-(2,4-dichlorophenyl)-6-methoxypyrimidine is sourced from PubChem (CID 50971015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).