4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine

C12H9Cl3N2O — CID 170985404

IUPAC4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine
SMILESCOCc1c(Cl)ncnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O/c1-18-5-8-11(16-6-17-12(8)15)7-2-3-9(13)10(14)4-7/h2-4,6H,5H2,1H3
InChIKeyKETBKWCQINHHLO-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.25
Rot. Bonds3

About 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine

4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine (PubChem CID 170985404) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine
PubChem CID170985404
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine
SMILESCOCc1c(Cl)ncnc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O/c1-18-5-8-11(16-6-17-12(8)15)7-2-3-9(13)10(14)4-7/h2-4,6H,5H2,1H3
InChIKeyKETBKWCQINHHLO-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dichlorophenyl)-N-hydrazinylidene-5-(methoxymethyl)pyrimidine-4-carboximidamide
CID 144518964
4-chloro-6-(3-chloro-4-methylphenyl)-5-propylpyrimidine
CID 113324741
4-chloro-6-(3-chloro-4-fluorophenyl)-5-propylpyrimidine
CID 113324784
6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine
CID 79711613
4-(3,4-dichlorophenyl)-5-methyl-6-(2H-tetrazol-5-yl)pyrimidine
CID 71240876
2-(3,4-dichlorophenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 62320412
6-(3-chloro-4-methylphenyl)-5-ethyl-N-propylpyrimidin-4-amine
CID 115504253
6-(3-chloro-4-methylphenyl)-5-methoxypyrimidin-4-amine
CID 115504339
6-(3-chloro-4-methylphenyl)-N,5-dipropylpyrimidin-4-amine
CID 115504286
4-chloro-5-(chloromethyl)-6-(3,4-dichlorophenoxy)pyrimidine
CID 107087892
2-[4-(3-chloro-4-methoxyphenyl)pyrimidin-5-yl]acetic acid
CID 95482936
4-(4-chloro-3-methoxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136769434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine (CID 170985404) is 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine is COCc1c(Cl)ncnc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine?
The InChIKey is KETBKWCQINHHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-18-5-8-11(16-6-17-12(8)15)7-2-3-9(13)10(14)4-7/h2-4,6H,5H2,1H3.
What are the key properties of 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine?
4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine has a molecular weight of 303.58 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dichlorophenyl)-5-(methoxymethyl)pyrimidine is sourced from PubChem (CID 170985404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).