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

C13H12F3N5O — CID 135645386

IUPAC2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cc(=O)[nH]c(/N=C(/N)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N5O/c1-7-6-10(22)20-12(18-7)21-11(17)19-9-5-3-2-4-8(9)13(14,15)16/h2-6H,1H3,(H4,17,18,19,20,21,22)
InChIKeyPDFOAAMZYZAWIN-UHFFFAOYSA-N
MW311.27 g/mol
LogP2.16
Rot. Bonds2

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

2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 135645386) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID135645386
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC Name2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCc1cc(=O)[nH]c(/N=C(/N)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H12F3N5O/c1-7-6-10(22)20-12(18-7)21-11(17)19-9-5-3-2-4-8(9)13(14,15)16/h2-6H,1H3,(H4,17,18,19,20,21,22)
InChIKeyPDFOAAMZYZAWIN-UHFFFAOYSA-N
XLogP2.16
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135481551
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71550817
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
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
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
ethyl 2-[2-[(Z)-[benzamido-[2-(trifluoromethyl)anilino]methylidene]amino]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135414608
methyl 2-[2-[[amino-(2-methoxyanilino)methylidene]amino]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135406769
2-(4-fluoropyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 71548706
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
CID 135541631
1-(3-chloro-2-methylphenyl)-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)guanidine
CID 135996106

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (CID 135645386) is 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is Cc1cc(=O)[nH]c(/N=C(/N)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is PDFOAAMZYZAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c1-7-6-10(22)20-12(18-7)21-11(17)19-9-5-3-2-4-8(9)13(14,15)16/h2-6H,1H3,(H4,17,18,19,20,21,22).
What are the key properties of 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 311.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 135645386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).