3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

C14H20F3N5O — CID 166860072

IUPAC3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCC(C)Nc1nc(NCC(F)(F)F)nc(C2=CC(O)CCC2)n1
InChIInChI=1S/C14H20F3N5O/c1-8(2)19-13-21-11(9-4-3-5-10(23)6-9)20-12(22-13)18-7-14(15,16)17/h6,8,10,23H,3-5,7H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyDOYGPZFRDZFBKK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.59
Rot. Bonds5

About 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (PubChem CID 166860072) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
PubChem CID166860072
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCC(C)Nc1nc(NCC(F)(F)F)nc(C2=CC(O)CCC2)n1
InChIInChI=1S/C14H20F3N5O/c1-8(2)19-13-21-11(9-4-3-5-10(23)6-9)20-12(22-13)18-7-14(15,16)17/h6,8,10,23H,3-5,7H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyDOYGPZFRDZFBKK-UHFFFAOYSA-N
XLogP2.59
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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
6-(cyclopenten-1-yl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445328
4-N-(2,2,2-trifluoroethyl)-6-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 146258771
(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
(1S)-3-[4-(cyclopropylmethylamino)-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6-difluorocyclohex-2-en-1-ol
CID 176644520
(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-[4,6-bis[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-1,3,5-triazin-2-yl]-2,6-difluorocyclohex-2-en-1-ol
CID 151036273
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)-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
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The IUPAC name of 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (CID 166860072) is 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The canonical SMILES for 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is CC(C)Nc1nc(NCC(F)(F)F)nc(C2=CC(O)CCC2)n1.
What is the InChIKey of 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The InChIKey is DOYGPZFRDZFBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-8(2)19-13-21-11(9-4-3-5-10(23)6-9)20-12(22-13)18-7-14(15,16)17/h6,8,10,23H,3-5,7H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol has a molecular weight of 331.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propan-2-ylamino)-6-(2,2,2-trifluoroethylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 166860072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).