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

C11H5Cl2F3N2 — CID 143377529

IUPAC4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine
SMILESCc1nc(Cl)c(-c2c(F)cc(F)cc2F)c(Cl)n1
InChIInChI=1S/C11H5Cl2F3N2/c1-4-17-10(12)9(11(13)18-4)8-6(15)2-5(14)3-7(8)16/h2-3H,1H3
InChIKeyPEGBEAJVMQYSJY-UHFFFAOYSA-N
MW293.08 g/mol
LogP4.18
Rot. Bonds1

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

4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine (PubChem CID 143377529) has the molecular formula C11H5Cl2F3N2 and a molecular weight of 293.08 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine
PubChem CID143377529
Molecular FormulaC11H5Cl2F3N2
Molecular Weight293.08 g/mol
Exact Mass291.98
IUPAC Name4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine
SMILESCc1nc(Cl)c(-c2c(F)cc(F)cc2F)c(Cl)n1
InChIInChI=1S/C11H5Cl2F3N2/c1-4-17-10(12)9(11(13)18-4)8-6(15)2-5(14)3-7(8)16/h2-3H,1H3
InChIKeyPEGBEAJVMQYSJY-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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine (CID 143377529) is 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine is Cc1nc(Cl)c(-c2c(F)cc(F)cc2F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine?
The InChIKey is PEGBEAJVMQYSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2/c1-4-17-10(12)9(11(13)18-4)8-6(15)2-5(14)3-7(8)16/h2-3H,1H3.
What are the key properties of 4,6-dichloro-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine?
4,6-dichloro-2-methyl-5-(2,4,6-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-2-methyl-5-(2,4,6-trifluorophenyl)pyrimidine is sourced from PubChem (CID 143377529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).