5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine

C15H16BrClN2O — CID 66294671

IUPAC5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cc2cc(C)cc(C)c2)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-9-4-10(2)6-11(5-9)7-13-18-12(8-20-3)14(16)15(17)19-13/h4-6H,7-8H2,1-3H3
InChIKeyRGPRBXSMOTWIEK-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.25
Rot. Bonds4

About 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine

5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine (PubChem CID 66294671) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine
PubChem CID66294671
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cc2cc(C)cc(C)c2)nc(Cl)c1Br
InChIInChI=1S/C15H16BrClN2O/c1-9-4-10(2)6-11(5-9)7-13-18-12(8-20-3)14(16)15(17)19-13/h4-6H,7-8H2,1-3H3
InChIKeyRGPRBXSMOTWIEK-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine (CID 66294671) is 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine is COCc1nc(Cc2cc(C)cc(C)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is RGPRBXSMOTWIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-9-4-10(2)6-11(5-9)7-13-18-12(8-20-3)14(16)15(17)19-13/h4-6H,7-8H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 355.66 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66294671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).