1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine

C12H11F3N2 — CID 142001731

IUPAC1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine
SMILESCN1C=C(C(F)(F)F)CN=C1c1ccccc1
InChIInChI=1S/C12H11F3N2/c1-17-8-10(12(13,14)15)7-16-11(17)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyXPLSHWBBTYCBIW-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.82
Rot. Bonds1

About 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine

1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine (PubChem CID 142001731) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine
PubChem CID142001731
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine
SMILESCN1C=C(C(F)(F)F)CN=C1c1ccccc1
InChIInChI=1S/C12H11F3N2/c1-17-8-10(12(13,14)15)7-16-11(17)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyXPLSHWBBTYCBIW-UHFFFAOYSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-(trifluoromethyl)benzene-1-carboximidamide
CID 44374892
N,N-dimethylbenzamidine
CID 361540
1-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1H-imidazole
CID 72942199
7-Chloro-4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 574594
4-phenyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 921190
1-((Methylimino)phenylmethyl)piperidine monohydrochloride
CID 3049212
N,N,N'-Trimethylbenzenecarboximidamide monohydrochloride
CID 3049214
1-((Methylimino)(4-methylphenyl)methyl)piperidine monohydrochloride
CID 3049226
4-(2-fluorophenyl)-7-methyl-2H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
CID 717973
1-[(3-Fluorophenyl)methyl]-5-methylpyridin-2-imine;hydrobromide
CID 71674687
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 71814995
Benzenecarboximidamide, n,n'-dimethyl-
CID 185669

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
The IUPAC name of 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine (CID 142001731) is 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine.
What is the SMILES notation for 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
The canonical SMILES for 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine is CN1C=C(C(F)(F)F)CN=C1c1ccccc1.
What is the InChIKey of 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
The InChIKey is XPLSHWBBTYCBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-17-8-10(12(13,14)15)7-16-11(17)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine has a molecular weight of 240.23 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine is sourced from PubChem (CID 142001731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).