4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine

C13H11Cl3N2O — CID 62319957

IUPAC4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-19-7-8-5-12(16)18-13(17-8)6-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3
InChIKeySISOEDGAPDOGND-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.17
Rot. Bonds4

About 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine

4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine (PubChem CID 62319957) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
PubChem CID62319957
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-19-7-8-5-12(16)18-13(17-8)6-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3
InChIKeySISOEDGAPDOGND-UHFFFAOYSA-N
XLogP4.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine (CID 62319957) is 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is SISOEDGAPDOGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-19-7-8-5-12(16)18-13(17-8)6-9-10(14)3-2-4-11(9)15/h2-5H,6-7H2,1H3.
What are the key properties of 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 317.60 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 62319957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).