N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine

C15H15F4N5O3 — CID 134124533

IUPACN-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine
SMILESCOc1nc(OC)nc(Oc2cccc(F)c2/C(=N/N(C)C)C(F)(F)F)n1
InChIInChI=1S/C15H15F4N5O3/c1-24(2)23-11(15(17,18)19)10-8(16)6-5-7-9(10)27-14-21-12(25-3)20-13(22-14)26-4/h5-7H,1-4H3/b23-11-
InChIKeyKULVBPROWPVNRF-KSEXSDGBSA-N
MW389.31 g/mol
LogP2.65
Rot. Bonds6

About N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine

N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine (PubChem CID 134124533) has the molecular formula C15H15F4N5O3 and a molecular weight of 389.31 g/mol. Its IUPAC name is N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine
PubChem CID134124533
Molecular FormulaC15H15F4N5O3
Molecular Weight389.31 g/mol
Exact Mass389.11
IUPAC NameN-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine
SMILESCOc1nc(OC)nc(Oc2cccc(F)c2/C(=N/N(C)C)C(F)(F)F)n1
InChIInChI=1S/C15H15F4N5O3/c1-24(2)23-11(15(17,18)19)10-8(16)6-5-7-9(10)27-14-21-12(25-3)20-13(22-14)26-4/h5-7H,1-4H3/b23-11-
InChIKeyKULVBPROWPVNRF-KSEXSDGBSA-N
XLogP2.65
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine (CID 134124533) is N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine is COc1nc(OC)nc(Oc2cccc(F)c2/C(=N/N(C)C)C(F)(F)F)n1.
What is the InChIKey of N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine?
The InChIKey is KULVBPROWPVNRF-KSEXSDGBSA-N. The full InChI is InChI=1S/C15H15F4N5O3/c1-24(2)23-11(15(17,18)19)10-8(16)6-5-7-9(10)27-14-21-12(25-3)20-13(22-14)26-4/h5-7H,1-4H3/b23-11-.
What are the key properties of N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine?
N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine has a molecular weight of 389.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorophenyl]-2,2,2-trifluoroethylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 134124533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).