2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine

C6H9F3N2 — CID 89068401

IUPAC2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCC(C(F)(F)F)CN1
InChIInChI=1S/C6H9F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h5H,2-3H2,1H3,(H,10,11)
InChIKeyOEVPYTYCZPLZOP-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.19
Rot. Bonds

About 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine

2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 89068401) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID89068401
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCC(C(F)(F)F)CN1
InChIInChI=1S/C6H9F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h5H,2-3H2,1H3,(H,10,11)
InChIKeyOEVPYTYCZPLZOP-UHFFFAOYSA-N
XLogP1.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine (CID 89068401) is 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine is CC1=NCC(C(F)(F)F)CN1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is OEVPYTYCZPLZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-10-2-5(3-11-4)6(7,8)9/h5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine?
2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 166.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 89068401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).