6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine

C12H11F3N2 — CID 142126130

IUPAC6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine
SMILESCC1=CCN=C(c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C12H11F3N2/c1-8-6-7-16-11(17-8)9-4-2-3-5-10(9)12(13,14)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyTWQKEZOZPWFBJU-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.96
Rot. Bonds1

About 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine

6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine (PubChem CID 142126130) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine
PubChem CID142126130
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine
SMILESCC1=CCN=C(c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C12H11F3N2/c1-8-6-7-16-11(17-8)9-4-2-3-5-10(9)12(13,14)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyTWQKEZOZPWFBJU-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazole, 4,5-dihydro-2-(2-methylphenyl)-
CID 10057802
Iquindamine
CID 3015272
N-(1,1-Dimethylethyl)-2,3-dihydro-7-(2-methylphenyl)-1H-1,4-diazepin-5-amine
CID 44419893
6-hexyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10539875
2-(5-Fluoro-2-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269134
6-methyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinoline
CID 10559880
N-(2-fluorophenyl)-N',2-dimethylbenzenecarboximidamide
CID 154719034
2-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 101477526
4-(2-Methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 556114
6-Methyl-2-(4-methylphenyl)-4,4-bis(trifluoromethyl)-1,4-dihydropyrimidine-5-carbonitrile
CID 936568
2-Benzyl-6-phenyl-4,4-bis(trifluoromethyl)-1,4-dihydro-1,3,5-triazine
CID 1046755
2-(2,4-Difluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104347

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine?
The IUPAC name of 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine (CID 142126130) is 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine.
What is the SMILES notation for 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine?
The canonical SMILES for 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine is CC1=CCN=C(c2ccccc2C(F)(F)F)N1.
What is the InChIKey of 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine?
The InChIKey is TWQKEZOZPWFBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-6-7-16-11(17-8)9-4-2-3-5-10(9)12(13,14)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine?
6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine has a molecular weight of 240.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine is sourced from PubChem (CID 142126130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).