4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine

C8H6F6N2 — CID 134855968

IUPAC4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(C(F)(F)F)c1C
InChIInChI=1S/C8H6F6N2/c1-3-4(2)15-6(8(12,13)14)16-5(3)7(9,10)11/h1-2H3
InChIKeyJCVKEDUYHBLFBS-UHFFFAOYSA-N
MW244.14 g/mol
LogP3.13
Rot. Bonds

About 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine

4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine (PubChem CID 134855968) has the molecular formula C8H6F6N2 and a molecular weight of 244.14 g/mol. Its IUPAC name is 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine
PubChem CID134855968
Molecular FormulaC8H6F6N2
Molecular Weight244.14 g/mol
Exact Mass244.04
IUPAC Name4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(C(F)(F)F)c1C
InChIInChI=1S/C8H6F6N2/c1-3-4(2)15-6(8(12,13)14)16-5(3)7(9,10)11/h1-2H3
InChIKeyJCVKEDUYHBLFBS-UHFFFAOYSA-N
XLogP3.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine (CID 134855968) is 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)nc(C(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine?
The InChIKey is JCVKEDUYHBLFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2/c1-3-4(2)15-6(8(12,13)14)16-5(3)7(9,10)11/h1-2H3.
What are the key properties of 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine?
4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine has a molecular weight of 244.14 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,6-bis(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134855968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).