1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine

C7H9F3N2 — CID 135245483

IUPAC1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine
SMILESCC1=NCN(C)C(C(F)(F)F)=C1
InChIInChI=1S/C7H9F3N2/c1-5-3-6(7(8,9)10)12(2)4-11-5/h3H,4H2,1-2H3
InChIKeyXPWQXMNRQUHAMT-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.80
Rot. Bonds

About 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine

1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine (PubChem CID 135245483) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine.

Molecular Properties

Compound Name1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine
PubChem CID135245483
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine
SMILESCC1=NCN(C)C(C(F)(F)F)=C1
InChIInChI=1S/C7H9F3N2/c1-5-3-6(7(8,9)10)12(2)4-11-5/h3H,4H2,1-2H3
InChIKeyXPWQXMNRQUHAMT-UHFFFAOYSA-N
XLogP1.80
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine?
The IUPAC name of 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine (CID 135245483) is 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine.
What is the SMILES notation for 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine?
The canonical SMILES for 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine is CC1=NCN(C)C(C(F)(F)F)=C1.
What is the InChIKey of 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine?
The InChIKey is XPWQXMNRQUHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5-3-6(7(8,9)10)12(2)4-11-5/h3H,4H2,1-2H3.
What are the key properties of 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine?
1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine has a molecular weight of 178.16 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-(trifluoromethyl)-2H-pyrimidine is sourced from PubChem (CID 135245483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).