4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine

C11H7Cl3N2O — CID 82169647

IUPAC4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
SMILESClc1cc(Cl)nc(COc2ccccc2Cl)n1
InChIInChI=1S/C11H7Cl3N2O/c12-7-3-1-2-4-8(7)17-6-11-15-9(13)5-10(14)16-11/h1-5H,6H2
InChIKeyXWJJZWSXIKTQGJ-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.02
Rot. Bonds3

About 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine

4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine (PubChem CID 82169647) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
PubChem CID82169647
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
SMILESClc1cc(Cl)nc(COc2ccccc2Cl)n1
InChIInChI=1S/C11H7Cl3N2O/c12-7-3-1-2-4-8(7)17-6-11-15-9(13)5-10(14)16-11/h1-5H,6H2
InChIKeyXWJJZWSXIKTQGJ-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
4-chloro-6-ethoxy-2-[(2-methoxyphenoxy)methyl]pyrimidine
CID 82169602
4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
CID 82169650
2-[(2-chlorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193520
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
3-[(2-chlorophenoxy)methyl]-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 42692478
4,6-dichloro-2-[2-(2-fluorophenoxy)ethyl]pyrimidine
CID 82169669
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
2-[(2-chlorophenoxy)methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 28903971

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine (CID 82169647) is 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine is Clc1cc(Cl)nc(COc2ccccc2Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine?
The InChIKey is XWJJZWSXIKTQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-7-3-1-2-4-8(7)17-6-11-15-9(13)5-10(14)16-11/h1-5H,6H2.
What are the key properties of 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine?
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine has a molecular weight of 289.55 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine is sourced from PubChem (CID 82169647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).