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

C13H11BrClFN2OS — CID 66293846

IUPAC5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(CSc2ccccc2F)nc(Cl)c1Br
InChIInChI=1S/C13H11BrClFN2OS/c1-19-6-9-12(14)13(15)18-11(17-9)7-20-10-5-3-2-4-8(10)16/h2-5H,6-7H2,1H3
InChIKeyFLBREDQYLSSTPP-UHFFFAOYSA-N
MW377.67 g/mol
LogP4.47
Rot. Bonds5

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

5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine (PubChem CID 66293846) has the molecular formula C13H11BrClFN2OS and a molecular weight of 377.67 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine
PubChem CID66293846
Molecular FormulaC13H11BrClFN2OS
Molecular Weight377.67 g/mol
Exact Mass375.94
IUPAC Name5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine
SMILESCOCc1nc(CSc2ccccc2F)nc(Cl)c1Br
InChIInChI=1S/C13H11BrClFN2OS/c1-19-6-9-12(14)13(15)18-11(17-9)7-20-10-5-3-2-4-8(10)16/h2-5H,6-7H2,1H3
InChIKeyFLBREDQYLSSTPP-UHFFFAOYSA-N
XLogP4.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.67
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine (CID 66293846) is 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine is COCc1nc(CSc2ccccc2F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine?
The InChIKey is FLBREDQYLSSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2OS/c1-19-6-9-12(14)13(15)18-11(17-9)7-20-10-5-3-2-4-8(10)16/h2-5H,6-7H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine?
5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine has a molecular weight of 377.67 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-[(2-fluorophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 66293846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).