2,4-dichloro-6-(4-methoxyphenyl)pyrimidine

C11H8Cl2N2O — CID 22618163

IUPAC2,4-dichloro-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3
InChIKeyQYHGNJWTEXUEGF-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.46
Rot. Bonds2

About 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine

2,4-dichloro-6-(4-methoxyphenyl)pyrimidine (PubChem CID 22618163) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-methoxyphenyl)pyrimidine
PubChem CID22618163
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2,4-dichloro-6-(4-methoxyphenyl)pyrimidine
SMILESCOc1ccc(-c2cc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3
InChIKeyQYHGNJWTEXUEGF-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

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 10172601
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-(2,4-Dichloro-5-Methoxyphenyl)-6-Methylpyrimidin-2-Amine
CID 52940058
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
4-[2-Chloro-6-(4,4,4-Trifluorobutoxy)phenyl]-6-Methylpyrimidin-2-Amine
CID 51049656
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
6-Ethyl-5-(3-methoxy-phenyl)-pyrimidine-2,4-diamine
CID 10466996
5-(3-Chlorophenyl)-6-(5-phenoxypentyl)pyrimidine-2,4-diamine;hydrochloride
CID 155512559
5-(3-Chlorophenyl)-6-(4-phenoxybutyl)pyrimidine-2,4-diamine;hydrochloride
CID 155557612

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine?
The IUPAC name of 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine (CID 22618163) is 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine is COc1ccc(-c2cc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine?
The InChIKey is QYHGNJWTEXUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3.
What are the key properties of 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine?
2,4-dichloro-6-(4-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 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine is sourced from PubChem (CID 22618163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).