6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine

C8H9F3N2 — CID 166907521

IUPAC6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine
SMILESC=C(C)C1=NC=NC(C(F)(F)F)C1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-7(8(9,10)11)13-4-12-6/h4,7H,1,3H2,2H3
InChIKeyQURADUYCKGLWCK-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.37
Rot. Bonds1

About 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine

6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine (PubChem CID 166907521) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine.

Molecular Properties

Compound Name6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine
PubChem CID166907521
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine
SMILESC=C(C)C1=NC=NC(C(F)(F)F)C1
InChIInChI=1S/C8H9F3N2/c1-5(2)6-3-7(8(9,10)11)13-4-12-6/h4,7H,1,3H2,2H3
InChIKeyQURADUYCKGLWCK-UHFFFAOYSA-N
XLogP2.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Prop-1-en-2-yl-4,5-dihydropyrimidine
CID 155049734

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine?
The IUPAC name of 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine (CID 166907521) is 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine.
What is the SMILES notation for 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine?
The canonical SMILES for 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine is C=C(C)C1=NC=NC(C(F)(F)F)C1.
What is the InChIKey of 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine?
The InChIKey is QURADUYCKGLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5(2)6-3-7(8(9,10)11)13-4-12-6/h4,7H,1,3H2,2H3.
What are the key properties of 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine?
6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine has a molecular weight of 190.17 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yl-4-(trifluoromethyl)-4,5-dihydropyrimidine is sourced from PubChem (CID 166907521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).