5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine

C11H8Cl2N2O — CID 174107373

IUPAC5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
SMILESCOc1cc(Cl)ccc1-c1ncc(Cl)cn1
InChIInChI=1S/C11H8Cl2N2O/c1-16-10-4-7(12)2-3-9(10)11-14-5-8(13)6-15-11/h2-6H,1H3
InChIKeyFXQODMMVEPAUHI-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine

5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine (PubChem CID 174107373) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
PubChem CID174107373
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine
SMILESCOc1cc(Cl)ccc1-c1ncc(Cl)cn1
InChIInChI=1S/C11H8Cl2N2O/c1-16-10-4-7(12)2-3-9(10)11-14-5-8(13)6-15-11/h2-6H,1H3
InChIKeyFXQODMMVEPAUHI-UHFFFAOYSA-N
XLogP3.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-9-methylpurine
CID 175396695
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
1-(4-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 118805876
1-(4-bromo-2-fluorophenyl)-4-chloro-2-methoxybenzene
CID 146321762
6-(4-chloro-2-methoxyphenyl)pyridin-3-ol
CID 53229509
5-chloro-2,3-dimethoxypyridine;hydrochloride
CID 91759024
[3-(4-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 106819878
[2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidin-4-yl]methanol
CID 106819856
4-(4-chloro-2-methoxyphenyl)pyridin-1-ium
CID 143833713
methyl 1-(4-chloro-2-methoxyphenyl)-4-fluoroisoquinoline-7-carboxylate
CID 67961990
4-chloro-2-(4-chloro-2-methoxyphenyl)-6-methylquinazoline
CID 63085175
4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106819152

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine?
The IUPAC name of 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine (CID 174107373) is 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine is COc1cc(Cl)ccc1-c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine?
The InChIKey is FXQODMMVEPAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-10-4-7(12)2-3-9(10)11-14-5-8(13)6-15-11/h2-6H,1H3.
What are the key properties of 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine?
5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine has a molecular weight of 255.10 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chloro-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 174107373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).