5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

C10H10BrClF4N2O2 — CID 103473583

IUPAC5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCOCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClF4N2O2/c1-19-2-5-7(11)8(12)18-6(17-5)3-20-4-10(15,16)9(13)14/h9H,2-4H2,1H3
InChIKeyVUGCKBZTQROYMY-UHFFFAOYSA-N
MW381.55 g/mol
LogP3.46
Rot. Bonds7

About 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine

5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (PubChem CID 103473583) has the molecular formula C10H10BrClF4N2O2 and a molecular weight of 381.55 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
PubChem CID103473583
Molecular FormulaC10H10BrClF4N2O2
Molecular Weight381.55 g/mol
Exact Mass379.96
IUPAC Name5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
SMILESCOCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br
InChIInChI=1S/C10H10BrClF4N2O2/c1-19-2-5-7(11)8(12)18-6(17-5)3-20-4-10(15,16)9(13)14/h9H,2-4H2,1H3
InChIKeyVUGCKBZTQROYMY-UHFFFAOYSA-N
XLogP3.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine (CID 103473583) is 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is COCc1nc(COCC(F)(F)C(F)F)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
The InChIKey is VUGCKBZTQROYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF4N2O2/c1-19-2-5-7(11)8(12)18-6(17-5)3-20-4-10(15,16)9(13)14/h9H,2-4H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine?
5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine has a molecular weight of 381.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(methoxymethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine is sourced from PubChem (CID 103473583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).