4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

C17H15F4N7O — CID 152755443

IUPAC4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1(c2cncc(F)c2)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\C2COC2)N1
InChIInChI=1S/C17H15F4N7O/c18-10-4-9(5-23-6-10)17(22)27-14(26-15(28-17)24-11-7-29-8-11)12-2-1-3-13(25-12)16(19,20)21/h1-6,11H,7-8,22H2,(H2,24,26,27,28)
InChIKeyJPONXVNRTIUSKQ-UHFFFAOYSA-N
MW409.35 g/mol
LogP1.10
Rot. Bonds3

About 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine

4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (PubChem CID 152755443) has the molecular formula C17H15F4N7O and a molecular weight of 409.35 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
PubChem CID152755443
Molecular FormulaC17H15F4N7O
Molecular Weight409.35 g/mol
Exact Mass409.13
IUPAC Name4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
SMILESNC1(c2cncc(F)c2)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\C2COC2)N1
InChIInChI=1S/C17H15F4N7O/c18-10-4-9(5-23-6-10)17(22)27-14(26-15(28-17)24-11-7-29-8-11)12-2-1-3-13(25-12)16(19,20)21/h1-6,11H,7-8,22H2,(H2,24,26,27,28)
InChIKeyJPONXVNRTIUSKQ-UHFFFAOYSA-N
XLogP1.10
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine 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-N-(5-fluoro-3-pyridinyl)-4-(3-oxabicyclo[3.1.0]hexan-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 152753865
4-[(1S)-3,3-difluorocyclopentyl]-2-[(1S)-3,3-difluorocyclopentyl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 158950077
4-(3,3-difluorocyclopentyl)-2-(2,3-dihydro-1H-inden-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 154307486
4-[(2R)-3-methylbutan-2-yl]-2-[(2R)-3-methylbutan-2-yl]imino-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 159428406
4-N-(5-fluoro-3-pyridinyl)-2-N-(4-methyloxolan-3-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 134388086
4-(3,3-difluorocyclopentyl)-2-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154292445
4-(4,4-difluorocyclohexyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154348543
4-[(1R)-1-cyclopropylethyl]-2-(1-piperidin-1-ylpropan-2-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine
CID 154243283
2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide
CID 144770922
4-(4,4-difluorocyclohexyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
CID 154288348
7-[6-(trifluoromethyl)-2-pyridinyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954455
1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756541

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine (CID 152755443) is 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is NC1(c2cncc(F)c2)N=C(c2cccc(C(F)(F)F)n2)N/C(=N\C2COC2)N1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
The InChIKey is JPONXVNRTIUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N7O/c18-10-4-9(5-23-6-10)17(22)27-14(26-15(28-17)24-11-7-29-8-11)12-2-1-3-13(25-12)16(19,20)21/h1-6,11H,7-8,22H2,(H2,24,26,27,28).
What are the key properties of 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine?
4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine has a molecular weight of 409.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-2-(oxetan-3-ylimino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-amine is sourced from PubChem (CID 152755443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).