3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol

C12H15F4N5O — CID 175486048

IUPAC3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
SMILESNc1nc(NC(CF)C(F)F)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C12H15F4N5O/c13-4-6(9(15)16)18-12-20-10(19-11(17)21-12)5-2-1-3-7(22)8(5)14/h6-7,9,22H,1-4H2,(H3,17,18,19,20,21)
InChIKeyGXYURVLRAYYCGF-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.69
Rot. Bonds5

About 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol

3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol (PubChem CID 175486048) has the molecular formula C12H15F4N5O and a molecular weight of 321.28 g/mol. Its IUPAC name is 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
PubChem CID175486048
Molecular FormulaC12H15F4N5O
Molecular Weight321.28 g/mol
Exact Mass321.12
IUPAC Name3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
SMILESNc1nc(NC(CF)C(F)F)nc(C2=C(F)C(O)CCC2)n1
InChIInChI=1S/C12H15F4N5O/c13-4-6(9(15)16)18-12-20-10(19-11(17)21-12)5-2-1-3-7(22)8(5)14/h6-7,9,22H,1-4H2,(H3,17,18,19,20,21)
InChIKeyGXYURVLRAYYCGF-UHFFFAOYSA-N
XLogP1.69
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol 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

3-[4-chloro-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 175486062
(1S)-2-fluoro-3-[4-(1,1,1-trifluoropropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohept-2-en-1-ol
CID 162445395
3-[4-amino-6-[(3S)-4,4,4-trifluoro-3-methylbutyl]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 138469036
3-[4-(cyclobutylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162445333
2-fluoro-3-[4-(3-methylbutyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469046
(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 166860188
2-fluoro-3-[4-methyl-6-[(2-methylpropan-2-yl)oxyamino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469341
3-[4-[(3,3-difluorocyclobutyl)amino]-6-[(3-fluoro-3-methylcyclobutyl)amino]-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 162483946
2-fluoro-3-[4-(propan-2-ylamino)-6-(pyrazolo[1,5-a]pyridin-6-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469190
3-(4-butyl-6-chloro-1,3,5-triazin-2-yl)-2-fluorocyclohex-2-en-1-ol
CID 138469330
1-deuterio-2-fluoro-3-[4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 162445372
2-fluoro-3-[4-[(2-hydroxy-2-methylpropyl)amino]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469230

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol?
The IUPAC name of 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol (CID 175486048) is 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol.
What is the SMILES notation for 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol?
The canonical SMILES for 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol is Nc1nc(NC(CF)C(F)F)nc(C2=C(F)C(O)CCC2)n1.
What is the InChIKey of 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol?
The InChIKey is GXYURVLRAYYCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N5O/c13-4-6(9(15)16)18-12-20-10(19-11(17)21-12)5-2-1-3-7(22)8(5)14/h6-7,9,22H,1-4H2,(H3,17,18,19,20,21).
What are the key properties of 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol?
3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol has a molecular weight of 321.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-6-(1,1,3-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol is sourced from PubChem (CID 175486048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).