2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine

C13H12F3N5 — CID 78108578

IUPAC2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cnc(N=C(N)Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C13H12F3N5/c1-8-6-18-12(19-7-8)21-11(17)20-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H3,17,18,19,20,21)
InChIKeyZOBFMPILPJICCH-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.86
Rot. Bonds2

About 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine

2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 78108578) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID78108578
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cnc(N=C(N)Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C13H12F3N5/c1-8-6-18-12(19-7-8)21-11(17)20-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H3,17,18,19,20,21)
InChIKeyZOBFMPILPJICCH-UHFFFAOYSA-N
XLogP2.86
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoropyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71548706
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71550817
2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78108509
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135645386
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
CID 62381437
2-[4-[(4-amino-2-methylquinolin-7-yl)amino]pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 140650247
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
1-(2-fluoro-5-methylphenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 46859836
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135896220
N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide
CID 162559190
1-phenyl-2-[3-(trifluoromethyl)-2-pyridinyl]guanidine
CID 57000219

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (CID 78108578) is 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is Cc1cnc(N=C(N)Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is ZOBFMPILPJICCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-8-6-18-12(19-7-8)21-11(17)20-10-5-3-2-4-9(10)13(14,15)16/h2-7H,1H3,(H3,17,18,19,20,21).
What are the key properties of 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 295.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 78108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).