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

C13H11BrClFN2O — CID 66292621

IUPAC5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cc2ccc(F)cc2)nc(Cl)c1Br
InChIInChI=1S/C13H11BrClFN2O/c1-19-7-10-12(14)13(15)18-11(17-10)6-8-2-4-9(16)5-3-8/h2-5H,6-7H2,1H3
InChIKeyHFVKNFVDPWUEGR-UHFFFAOYSA-N
MW345.60 g/mol
LogP3.77
Rot. Bonds4

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

5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine (PubChem CID 66292621) has the molecular formula C13H11BrClFN2O and a molecular weight of 345.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
PubChem CID66292621
Molecular FormulaC13H11BrClFN2O
Molecular Weight345.60 g/mol
Exact Mass343.97
IUPAC Name5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(Cc2ccc(F)cc2)nc(Cl)c1Br
InChIInChI=1S/C13H11BrClFN2O/c1-19-7-10-12(14)13(15)18-11(17-10)6-8-2-4-9(16)5-3-8/h2-5H,6-7H2,1H3
InChIKeyHFVKNFVDPWUEGR-UHFFFAOYSA-N
XLogP3.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 53.77
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-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine (CID 66292621) is 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine is COCc1nc(Cc2ccc(F)cc2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is HFVKNFVDPWUEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O/c1-19-7-10-12(14)13(15)18-11(17-10)6-8-2-4-9(16)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 345.60 g/mol, XLogP of 3.77, 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-[(4-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66292621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).