6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine

C8H11F3N2 — CID 164871371

IUPAC6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine
SMILESC=C1NC(C)C=CN1CC(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-6-3-4-13(7(2)12-6)5-8(9,10)11/h3-4,6,12H,2,5H2,1H3
InChIKeyAZTHBFQFCGPKTF-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.83
Rot. Bonds1

About 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine

6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine (PubChem CID 164871371) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine.

Molecular Properties

Compound Name6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine
PubChem CID164871371
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine
SMILESC=C1NC(C)C=CN1CC(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-6-3-4-13(7(2)12-6)5-8(9,10)11/h3-4,6,12H,2,5H2,1H3
InChIKeyAZTHBFQFCGPKTF-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine?
The IUPAC name of 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine (CID 164871371) is 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine.
What is the SMILES notation for 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine?
The canonical SMILES for 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine is C=C1NC(C)C=CN1CC(F)(F)F.
What is the InChIKey of 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine?
The InChIKey is AZTHBFQFCGPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-6-3-4-13(7(2)12-6)5-8(9,10)11/h3-4,6,12H,2,5H2,1H3.
What are the key properties of 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine?
6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine has a molecular weight of 192.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-3-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine is sourced from PubChem (CID 164871371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).