5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine

C12H10Cl2N2O — CID 170608959

IUPAC5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
SMILESCc1ncc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H10Cl2N2O/c1-8-15-5-9(6-16-8)17-7-10-11(13)3-2-4-12(10)14/h2-6H,7H2,1H3
InChIKeyUFVAGRGYZGKSAU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.67
Rot. Bonds3

About 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine

5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine (PubChem CID 170608959) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
PubChem CID170608959
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
SMILESCc1ncc(OCc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C12H10Cl2N2O/c1-8-15-5-9(6-16-8)17-7-10-11(13)3-2-4-12(10)14/h2-6H,7H2,1H3
InChIKeyUFVAGRGYZGKSAU-UHFFFAOYSA-N
XLogP3.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(2,6-dichlorophenyl)methoxy]pyridine
CID 103695201
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-ethylphenoxy)methyl]benzene;ethane
CID 142233914
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
5-[(2,6-dichlorophenyl)methoxy]pyridine-2-carboxylic acid
CID 79793988
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
N,N'-diamino-5-[(2,6-dichlorophenyl)methoxy]pyrimidine-2-carboximidamide
CID 170608782
1-bromo-4-[(2,6-dichlorophenyl)methoxy]-2-methylbenzene
CID 83133201
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
1,3-dichloro-2-[[4-(4-methylpentan-2-yl)phenoxy]methyl]benzene
CID 174342674

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine?
The IUPAC name of 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine (CID 170608959) is 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine is Cc1ncc(OCc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine?
The InChIKey is UFVAGRGYZGKSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8-15-5-9(6-16-8)17-7-10-11(13)3-2-4-12(10)14/h2-6H,7H2,1H3.
What are the key properties of 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine?
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine is sourced from PubChem (CID 170608959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).