4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine

C11H5Cl2F3N2 — CID 55217795

IUPAC4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCc1c(Cl)nc(-c2cc(F)c(F)c(F)c2)nc1Cl
InChIInChI=1S/C11H5Cl2F3N2/c1-4-9(12)17-11(18-10(4)13)5-2-6(14)8(16)7(15)3-5/h2-3H,1H3
InChIKeyAMXGQETUSXPBPF-UHFFFAOYSA-N
MW293.08 g/mol
LogP4.18
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine

4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine (PubChem CID 55217795) has the molecular formula C11H5Cl2F3N2 and a molecular weight of 293.08 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
PubChem CID55217795
Molecular FormulaC11H5Cl2F3N2
Molecular Weight293.08 g/mol
Exact Mass291.98
IUPAC Name4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
SMILESCc1c(Cl)nc(-c2cc(F)c(F)c(F)c2)nc1Cl
InChIInChI=1S/C11H5Cl2F3N2/c1-4-9(12)17-11(18-10(4)13)5-2-6(14)8(16)7(15)3-5/h2-3H,1H3
InChIKeyAMXGQETUSXPBPF-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine (CID 55217795) is 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine is Cc1c(Cl)nc(-c2cc(F)c(F)c(F)c2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine?
The InChIKey is AMXGQETUSXPBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2/c1-4-9(12)17-11(18-10(4)13)5-2-6(14)8(16)7(15)3-5/h2-3H,1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine?
4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine has a molecular weight of 293.08 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine is sourced from PubChem (CID 55217795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).