4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine

C11H7Cl3N2O — CID 114879214

IUPAC4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H7Cl3N2O/c1-17-10-9(15-5-16-11(10)14)6-2-7(12)4-8(13)3-6/h2-5H,1H3
InChIKeyPNOZKYDNTUOMJE-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.11
Rot. Bonds2

About 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine

4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine (PubChem CID 114879214) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine
PubChem CID114879214
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine
SMILESCOc1c(Cl)ncnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H7Cl3N2O/c1-17-10-9(15-5-16-11(10)14)6-2-7(12)4-8(13)3-6/h2-5H,1H3
InChIKeyPNOZKYDNTUOMJE-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine (CID 114879214) is 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine is COc1c(Cl)ncnc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine?
The InChIKey is PNOZKYDNTUOMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c1-17-10-9(15-5-16-11(10)14)6-2-7(12)4-8(13)3-6/h2-5H,1H3.
What are the key properties of 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine?
4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine has a molecular weight of 289.55 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dichlorophenyl)-5-methoxypyrimidine is sourced from PubChem (CID 114879214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).