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

C12H9Cl3N2O — CID 82169650

IUPAC4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
SMILESCc1cc(Cl)ccc1OCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H9Cl3N2O/c1-7-4-8(13)2-3-9(7)18-6-12-16-10(14)5-11(15)17-12/h2-5H,6H2,1H3
InChIKeyLYIGFOBBAIDCLH-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.32
Rot. Bonds3

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

4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine (PubChem CID 82169650) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
PubChem CID82169650
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
SMILESCc1cc(Cl)ccc1OCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C12H9Cl3N2O/c1-7-4-8(13)2-3-9(7)18-6-12-16-10(14)5-11(15)17-12/h2-5H,6H2,1H3
InChIKeyLYIGFOBBAIDCLH-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 80656918
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]thieno[2,3-d]pyrimidine
CID 62187776
5-tert-butyl-3-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazole
CID 78878847
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 4730484

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine (CID 82169650) is 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine is Cc1cc(Cl)ccc1OCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine?
The InChIKey is LYIGFOBBAIDCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-7-4-8(13)2-3-9(7)18-6-12-16-10(14)5-11(15)17-12/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine?
4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine has a molecular weight of 303.58 g/mol, XLogP of 4.32, 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-[(4-chloro-2-methylphenoxy)methyl]pyrimidine is sourced from PubChem (CID 82169650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).