N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine

C14H19F6N5O2 — CID 1115550

IUPACN-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19F6N5O2/c1-3-8(2)21-10-22-11(25-4-6-26-7-5-25)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h8-9H,3-7H2,1-2H3,(H,21,22,23,24)/t8-/m1/s1
InChIKeyJLLGFFPQTDVUEL-MRVPVSSYSA-N
MW403.33 g/mol
LogP2.79
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine

N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 1115550) has the molecular formula C14H19F6N5O2 and a molecular weight of 403.33 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID1115550
Molecular FormulaC14H19F6N5O2
Molecular Weight403.33 g/mol
Exact Mass403.14
IUPAC NameN-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C14H19F6N5O2/c1-3-8(2)21-10-22-11(25-4-6-26-7-5-25)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h8-9H,3-7H2,1-2H3,(H,21,22,23,24)/t8-/m1/s1
InChIKeyJLLGFFPQTDVUEL-MRVPVSSYSA-N
XLogP2.79
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097
N-methyl-4-(morpholin-4-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 879151
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-cyclohexyl-4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3237373
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
1,3,5-Triazine-2-amine, N-(1-methylethyl)-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041962
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
1,3,5-Triazine, 2,4-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-6-(4-morpholyl)-
CID 549986
4-fluoro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 14690828
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 1113192
N-butyl-4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 2192507
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827457

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 1115550) is N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is CC[C@@H](C)Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is JLLGFFPQTDVUEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19F6N5O2/c1-3-8(2)21-10-22-11(25-4-6-26-7-5-25)24-12(23-10)27-9(13(15,16)17)14(18,19)20/h8-9H,3-7H2,1-2H3,(H,21,22,23,24)/t8-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine?
N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 403.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1115550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).