4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C18H17F4N7O2 — CID 59548447

IUPAC4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2nc(COCC(F)(F)F)ccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C18H17F4N7O2/c1-9-25-14(29-17(23)26-9)12-4-3-10(7-31-8-18(20,21)22)27-15(12)28-11-5-13(19)16(30-2)24-6-11/h3-6H,7-8H2,1-2H3,(H,27,28)(H2,23,25,26,29)
InChIKeyYZZOSTHOBZZDTN-UHFFFAOYSA-N
MW439.37 g/mol
LogP3.19
Rot. Bonds7

About 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59548447) has the molecular formula C18H17F4N7O2 and a molecular weight of 439.37 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID59548447
Molecular FormulaC18H17F4N7O2
Molecular Weight439.37 g/mol
Exact Mass439.14
IUPAC Name4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ncc(Nc2nc(COCC(F)(F)F)ccc2-c2nc(C)nc(N)n2)cc1F
InChIInChI=1S/C18H17F4N7O2/c1-9-25-14(29-17(23)26-9)12-4-3-10(7-31-8-18(20,21)22)27-15(12)28-11-5-13(19)16(30-2)24-6-11/h3-6H,7-8H2,1-2H3,(H,27,28)(H2,23,25,26,29)
InChIKeyYZZOSTHOBZZDTN-UHFFFAOYSA-N
XLogP3.19
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine 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 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 59548447) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ncc(Nc2nc(COCC(F)(F)F)ccc2-c2nc(C)nc(N)n2)cc1F.
What is the InChIKey of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is YZZOSTHOBZZDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N7O2/c1-9-25-14(29-17(23)26-9)12-4-3-10(7-31-8-18(20,21)22)27-15(12)28-11-5-13(19)16(30-2)24-6-11/h3-6H,7-8H2,1-2H3,(H,27,28)(H2,23,25,26,29).
What are the key properties of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 439.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59548447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).