4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine

C12H9Cl2FN2O — CID 80664866

IUPAC4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-7-4-11(14)17-12(16-7)6-18-8-2-3-10(15)9(13)5-8/h2-5H,6H2,1H3
InChIKeyUWQRQGCSXWBUQT-UHFFFAOYSA-N
MW287.12 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine

4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine (PubChem CID 80664866) has the molecular formula C12H9Cl2FN2O and a molecular weight of 287.12 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
PubChem CID80664866
Molecular FormulaC12H9Cl2FN2O
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H9Cl2FN2O/c1-7-4-11(14)17-12(16-7)6-18-8-2-3-10(15)9(13)5-8/h2-5H,6H2,1H3
InChIKeyUWQRQGCSXWBUQT-UHFFFAOYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80664925
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-N,N-dimethylaniline
CID 80664031
2-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]acetonitrile
CID 80663555
1-[4-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]phenyl]propan-1-one
CID 99976883
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
2-[(3-chloro-4-fluorophenoxy)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63879527
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83234575
3-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-5-methoxybenzonitrile
CID 103566676

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine (CID 80664866) is 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine is Cc1cc(Cl)nc(COc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine?
The InChIKey is UWQRQGCSXWBUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O/c1-7-4-11(14)17-12(16-7)6-18-8-2-3-10(15)9(13)5-8/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine?
4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine has a molecular weight of 287.12 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine is sourced from PubChem (CID 80664866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).