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

C16H18F3N5 — CID 78108509

IUPAC2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCCCc1cc(C)nc(N=C(N)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5/c1-3-6-11-9-10(2)21-15(22-11)24-14(20)23-13-8-5-4-7-12(13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyWAPDPUYTPMNRDM-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.81
Rot. Bonds4

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

2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 78108509) has the molecular formula C16H18F3N5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
PubChem CID78108509
Molecular FormulaC16H18F3N5
Molecular Weight337.35 g/mol
Exact Mass337.15
IUPAC Name2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
SMILESCCCc1cc(C)nc(N=C(N)Nc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5/c1-3-6-11-9-10(2)21-15(22-11)24-14(20)23-13-8-5-4-7-12(13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3,(H3,20,21,22,23,24)
InChIKeyWAPDPUYTPMNRDM-UHFFFAOYSA-N
XLogP3.81
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine (CID 78108509) is 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is CCCc1cc(C)nc(N=C(N)Nc2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is WAPDPUYTPMNRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5/c1-3-6-11-9-10(2)21-15(22-11)24-14(20)23-13-8-5-4-7-12(13)16(17,18)19/h4-5,7-9H,3,6H2,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine?
2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 337.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-propylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 78108509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).