2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine

C14H11F6N5 — CID 71550817

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cc(C(F)(F)F)nc(/N=C(\N)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H11F6N5/c1-7-6-10(14(18,19)20)24-12(22-7)25-11(21)23-9-5-3-2-4-8(9)13(15,16)17/h2-6H,1H3,(H3,21,22,23,24,25)
InChIKeyDMIYZPSMBHPOFW-UHFFFAOYSA-N
MW363.27 g/mol
LogP3.88
Rot. Bonds2

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 71550817) has the molecular formula C14H11F6N5 and a molecular weight of 363.27 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID71550817
Molecular FormulaC14H11F6N5
Molecular Weight363.27 g/mol
Exact Mass363.09
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cc(C(F)(F)F)nc(/N=C(\N)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H11F6N5/c1-7-6-10(14(18,19)20)24-12(22-7)25-11(21)23-9-5-3-2-4-8(9)13(15,16)17/h2-6H,1H3,(H3,21,22,23,24,25)
InChIKeyDMIYZPSMBHPOFW-UHFFFAOYSA-N
XLogP3.88
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 53.88
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-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78108509
2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78108578
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135645386
2-(4-fluoropyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71548706
2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-(4-methylphenyl)guanidine
CID 85039824
2-[4-[(4-amino-2-methylquinolin-7-yl)amino]pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 140650247
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)guanidine;hydrochloride
CID 171152064
1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11545176
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]guanidine
CID 62381437
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 135896220
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine (CID 71550817) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine is Cc1cc(C(F)(F)F)nc(/N=C(\N)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is DMIYZPSMBHPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N5/c1-7-6-10(14(18,19)20)24-12(22-7)25-11(21)23-9-5-3-2-4-8(9)13(15,16)17/h2-6H,1H3,(H3,21,22,23,24,25).
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 363.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 71550817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).