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

C14H17F3N2 — CID 142001730

IUPACethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine
SMILESCC.CN1C=C(C(F)(F)F)CN=C1c1ccccc1
InChIInChI=1S/C12H11F3N2.C2H6/c1-17-8-10(12(13,14)15)7-16-11(17)9-5-3-2-4-6-9;1-2/h2-6,8H,7H2,1H3;1-2H3
InChIKeyZAGJMDQQOGZADG-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.85
Rot. Bonds1

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

ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine (PubChem CID 142001730) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine.

Molecular Properties

Compound Nameethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine
PubChem CID142001730
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Nameethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine
SMILESCC.CN1C=C(C(F)(F)F)CN=C1c1ccccc1
InChIInChI=1S/C12H11F3N2.C2H6/c1-17-8-10(12(13,14)15)7-16-11(17)9-5-3-2-4-6-9;1-2/h2-6,8H,7H2,1H3;1-2H3
InChIKeyZAGJMDQQOGZADG-UHFFFAOYSA-N
XLogP3.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-phenyl-1-propan-2-yl-5,6-dihydro-4H-pyrimidine
CID 71814995
(CH3)2N-C(C6H5)=Nch3
CID 3049215
[1-[(2-Fluorophenyl)methyl]-2-pyridinylidene]cyanamide
CID 19815499
7-Methyl-4-phenyl-5-hydropyridino[1,2-a]1,3,5-triazine-2-thione
CID 723642
N'-tert-butyl-N,N-diethylbenzenecarboximidamide
CID 330663
1-Methyl-2-phenyl-4,5-dihydro-1H-imidazole
CID 15357564

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
The IUPAC name of ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine (CID 142001730) is ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine.
What is the SMILES notation for ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
The canonical SMILES for ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine is CC.CN1C=C(C(F)(F)F)CN=C1c1ccccc1.
What is the InChIKey of ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
The InChIKey is ZAGJMDQQOGZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2.C2H6/c1-17-8-10(12(13,14)15)7-16-11(17)9-5-3-2-4-6-9;1-2/h2-6,8H,7H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine?
ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine has a molecular weight of 270.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-phenyl-5-(trifluoromethyl)-4H-pyrimidine is sourced from PubChem (CID 142001730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).