4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine

C14H13Cl3N2O3 — CID 54366186

IUPAC4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(Oc2cc(OC)ccc2Cl)c(Cl)n1
InChIInChI=1S/C14H13Cl3N2O3/c1-20-6-5-11-18-13(16)12(14(17)19-11)22-10-7-8(21-2)3-4-9(10)15/h3-4,7H,5-6H2,1-2H3
InChIKeyUPYGQHFLOHFHPB-UHFFFAOYSA-N
MW363.63 g/mol
LogP4.43
Rot. Bonds6

About 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine

4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine (PubChem CID 54366186) has the molecular formula C14H13Cl3N2O3 and a molecular weight of 363.63 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine
PubChem CID54366186
Molecular FormulaC14H13Cl3N2O3
Molecular Weight363.63 g/mol
Exact Mass362.00
IUPAC Name4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine
SMILESCOCCc1nc(Cl)c(Oc2cc(OC)ccc2Cl)c(Cl)n1
InChIInChI=1S/C14H13Cl3N2O3/c1-20-6-5-11-18-13(16)12(14(17)19-11)22-10-7-8(21-2)3-4-9(10)15/h3-4,7H,5-6H2,1-2H3
InChIKeyUPYGQHFLOHFHPB-UHFFFAOYSA-N
XLogP4.43
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine (CID 54366186) is 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine is COCCc1nc(Cl)c(Oc2cc(OC)ccc2Cl)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine?
The InChIKey is UPYGQHFLOHFHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O3/c1-20-6-5-11-18-13(16)12(14(17)19-11)22-10-7-8(21-2)3-4-9(10)15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine?
4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine has a molecular weight of 363.63 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chloro-5-methoxyphenoxy)-2-(2-methoxyethyl)pyrimidine is sourced from PubChem (CID 54366186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).