5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine

C13H11Br2ClN2O — CID 66293853

IUPAC5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cc2ccccc2Br)nc(Cl)c1Br
InChIInChI=1S/C13H11Br2ClN2O/c1-19-7-10-12(15)13(16)18-11(17-10)6-8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3
InChIKeyABCZQZZHYJTOGO-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.39
Rot. Bonds4

About 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine

5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine (PubChem CID 66293853) has the molecular formula C13H11Br2ClN2O and a molecular weight of 406.51 g/mol. Its IUPAC name is 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine
PubChem CID66293853
Molecular FormulaC13H11Br2ClN2O
Molecular Weight406.51 g/mol
Exact Mass403.89
IUPAC Name5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cc2ccccc2Br)nc(Cl)c1Br
InChIInChI=1S/C13H11Br2ClN2O/c1-19-7-10-12(15)13(16)18-11(17-10)6-8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3
InChIKeyABCZQZZHYJTOGO-UHFFFAOYSA-N
XLogP4.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine (CID 66293853) is 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine is COCc1nc(Cc2ccccc2Br)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine?
The InChIKey is ABCZQZZHYJTOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN2O/c1-19-7-10-12(15)13(16)18-11(17-10)6-8-4-2-3-5-9(8)14/h2-5H,6-7H2,1H3.
What are the key properties of 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine?
5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine has a molecular weight of 406.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-bromophenyl)methyl]-4-chloro-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66293853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).