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

C7H6ClF3N2 — CID 2736503

IUPAC4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C7H6ClF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3
InChIKeyQKXBEKRDGUZIFQ-UHFFFAOYSA-N
MW210.59 g/mol
LogP2.77
Rot. Bonds

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

4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine (PubChem CID 2736503) has the molecular formula C7H6ClF3N2 and a molecular weight of 210.59 g/mol. Its IUPAC name is 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
PubChem CID2736503
Molecular FormulaC7H6ClF3N2
Molecular Weight210.59 g/mol
Exact Mass210.02
IUPAC Name4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
SMILESCc1nc(C(F)(F)F)nc(Cl)c1C
InChIInChI=1S/C7H6ClF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3
InChIKeyQKXBEKRDGUZIFQ-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.59
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine (CID 2736503) is 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine is Cc1nc(C(F)(F)F)nc(Cl)c1C.
What is the InChIKey of 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is QKXBEKRDGUZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2/c1-3-4(2)12-6(7(9,10)11)13-5(3)8/h1-2H3.
What are the key properties of 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine?
4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 210.59 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 2736503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).