2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine

C15H15F3N5O4S- — CID 170331746

IUPAC2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine
SMILESCOc1nc(C)nc(N(C(=O)Nc2ccccc2CCC(F)(F)F)S(=O)[O-])n1
InChIInChI=1S/C15H16F3N5O4S/c1-9-19-12(22-13(20-9)27-2)23(28(25)26)14(24)21-11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H,21,24)(H,25,26)/p-1
InChIKeyKVVWDXTUQUUZBA-UHFFFAOYSA-M
MW418.38 g/mol
LogP2.52
Rot. Bonds6

About 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine

2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine (PubChem CID 170331746) has the molecular formula C15H15F3N5O4S- and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine.

Molecular Properties

Compound Name2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine
PubChem CID170331746
Molecular FormulaC15H15F3N5O4S-
Molecular Weight418.38 g/mol
Exact Mass418.08
IUPAC Name2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine
SMILESCOc1nc(C)nc(N(C(=O)Nc2ccccc2CCC(F)(F)F)S(=O)[O-])n1
InChIInChI=1S/C15H16F3N5O4S/c1-9-19-12(22-13(20-9)27-2)23(28(25)26)14(24)21-11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H,21,24)(H,25,26)/p-1
InChIKeyKVVWDXTUQUUZBA-UHFFFAOYSA-M
XLogP2.52
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine?
The IUPAC name of 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine (CID 170331746) is 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine.
What is the SMILES notation for 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine?
The canonical SMILES for 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine is COc1nc(C)nc(N(C(=O)Nc2ccccc2CCC(F)(F)F)S(=O)[O-])n1.
What is the InChIKey of 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine?
The InChIKey is KVVWDXTUQUUZBA-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-13(20-9)27-2)23(28(25)26)14(24)21-11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H,21,24)(H,25,26)/p-1.
What are the key properties of 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine?
2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine has a molecular weight of 418.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-6-[sulfinato-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoyl]amino]-1,3,5-triazine is sourced from PubChem (CID 170331746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).