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

C15H17F6N5O — CID 162445299

IUPAC3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
SMILESCC(Nc1nc(NC2CC2)nc(C2=C(F)C(O)C(F)(F)CC2)n1)C(F)(F)F
InChIInChI=1S/C15H17F6N5O/c1-6(15(19,20)21)22-12-24-11(25-13(26-12)23-7-2-3-7)8-4-5-14(17,18)10(27)9(8)16/h6-7,10,27H,2-5H2,1H3,(H2,22,23,24,25,26)
InChIKeyQGRYXCOXLAIVGT-UHFFFAOYSA-N
MW397.32 g/mol
LogP3.28
Rot. Bonds5

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

3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol (PubChem CID 162445299) has the molecular formula C15H17F6N5O and a molecular weight of 397.32 g/mol. Its IUPAC name is 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
PubChem CID162445299
Molecular FormulaC15H17F6N5O
Molecular Weight397.32 g/mol
Exact Mass397.13
IUPAC Name3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
SMILESCC(Nc1nc(NC2CC2)nc(C2=C(F)C(O)C(F)(F)CC2)n1)C(F)(F)F
InChIInChI=1S/C15H17F6N5O/c1-6(15(19,20)21)22-12-24-11(25-13(26-12)23-7-2-3-7)8-4-5-14(17,18)10(27)9(8)16/h6-7,10,27H,2-5H2,1H3,(H2,22,23,24,25,26)
InChIKeyQGRYXCOXLAIVGT-UHFFFAOYSA-N
XLogP3.28
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol with MolForge

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Related Compounds

2,6,6-trifluoro-3-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-6-(3,3,3-trifluoroprop-1-en-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 166860252
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
(1S)-3-[4-[[(1R)-3,3-difluorocyclopentyl]amino]-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6-difluorocyclohex-2-en-1-ol
CID 176644513
(1R)-3-[4,6-bis[(3,3-difluorocyclobutyl)amino]-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol
CID 138468951
6,6-dideuterio-3-[4-[(3,3-difluorocyclobutyl)amino]-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2-fluorocyclohex-2-en-1-ol
CID 159330518
(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
(1R)-3-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-1-deuterio-2,6-difluorocyclohex-2-en-1-ol
CID 162445387
3-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6-difluorocyclohex-2-en-1-ol
CID 151036273
2,6,6-trifluoro-3-[4-(methoxyamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-1-methylcyclohex-2-en-1-ol
CID 162611883
(1R)-3-[4-[(3,3-difluorocyclopentyl)amino]-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 176644508
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-(3-methylbutyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
CID 138469046

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol?
The IUPAC name of 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol (CID 162445299) is 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol.
What is the SMILES notation for 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol?
The canonical SMILES for 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol is CC(Nc1nc(NC2CC2)nc(C2=C(F)C(O)C(F)(F)CC2)n1)C(F)(F)F.
What is the InChIKey of 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol?
The InChIKey is QGRYXCOXLAIVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F6N5O/c1-6(15(19,20)21)22-12-24-11(25-13(26-12)23-7-2-3-7)8-4-5-14(17,18)10(27)9(8)16/h6-7,10,27H,2-5H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol?
3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol has a molecular weight of 397.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylamino)-6-(1,1,1-trifluoropropan-2-ylamino)-1,3,5-triazin-2-yl]-2,6,6-trifluorocyclohex-2-en-1-ol is sourced from PubChem (CID 162445299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).