2-methylidene-6-(trifluoromethyl)-1H-pyrimidine

C6H5F3N2 — CID 167172094

IUPAC2-methylidene-6-(trifluoromethyl)-1H-pyrimidine
SMILESC=C1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3,11H,1H2
InChIKeyIITNFUNPDUGLHF-UHFFFAOYSA-N
MW162.11 g/mol
LogP1.58
Rot. Bonds

About 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine

2-methylidene-6-(trifluoromethyl)-1H-pyrimidine (PubChem CID 167172094) has the molecular formula C6H5F3N2 and a molecular weight of 162.11 g/mol. Its IUPAC name is 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine.

Molecular Properties

Compound Name2-methylidene-6-(trifluoromethyl)-1H-pyrimidine
PubChem CID167172094
Molecular FormulaC6H5F3N2
Molecular Weight162.11 g/mol
Exact Mass162.04
IUPAC Name2-methylidene-6-(trifluoromethyl)-1H-pyrimidine
SMILESC=C1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3,11H,1H2
InChIKeyIITNFUNPDUGLHF-UHFFFAOYSA-N
XLogP1.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.11
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine?
The IUPAC name of 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine (CID 167172094) is 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine.
What is the SMILES notation for 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine?
The canonical SMILES for 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine is C=C1N=CC=C(C(F)(F)F)N1.
What is the InChIKey of 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine?
The InChIKey is IITNFUNPDUGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2/c1-4-10-3-2-5(11-4)6(7,8)9/h2-3,11H,1H2.
What are the key properties of 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine?
2-methylidene-6-(trifluoromethyl)-1H-pyrimidine has a molecular weight of 162.11 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-6-(trifluoromethyl)-1H-pyrimidine is sourced from PubChem (CID 167172094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).