(2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine

C6H9F3N2 — CID 166838384

IUPAC(2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine
SMILESCC1C=CN[C@@H](C(F)(F)F)N1
InChIInChI=1S/C6H9F3N2/c1-4-2-3-10-5(11-4)6(7,8)9/h2-5,10-11H,1H3/t4?,5-/m1/s1
InChIKeyKJVGCGWJBLBWCV-BRJRFNKRSA-N
MW166.15 g/mol
LogP0.97
Rot. Bonds

About (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine

(2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine (PubChem CID 166838384) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name(2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine
PubChem CID166838384
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine
SMILESCC1C=CN[C@@H](C(F)(F)F)N1
InChIInChI=1S/C6H9F3N2/c1-4-2-3-10-5(11-4)6(7,8)9/h2-5,10-11H,1H3/t4?,5-/m1/s1
InChIKeyKJVGCGWJBLBWCV-BRJRFNKRSA-N
XLogP0.97
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine (CID 166838384) is (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine is CC1C=CN[C@@H](C(F)(F)F)N1.
What is the InChIKey of (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine?
The InChIKey is KJVGCGWJBLBWCV-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-2-3-10-5(11-4)6(7,8)9/h2-5,10-11H,1H3/t4?,5-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine?
(2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine has a molecular weight of 166.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 166838384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).