2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine

C17H21F4N5O — CID 157249601

IUPAC2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(C)F)n1
InChIInChI=1S/C17H21F4N5O/c1-4-26(5-2)15-23-14(22-13-8-6-7-12(19)9-13)24-16(25-15)27-10-17(20,21)11(3)18/h6-9,11H,4-5,10H2,1-3H3,(H,22,23,24,25)
InChIKeyVMPPLZAFWOXPEV-UHFFFAOYSA-N
MW387.38 g/mol
LogP3.97
Rot. Bonds9

About 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 157249601) has the molecular formula C17H21F4N5O and a molecular weight of 387.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
PubChem CID157249601
Molecular FormulaC17H21F4N5O
Molecular Weight387.38 g/mol
Exact Mass387.17
IUPAC Name2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(C)F)n1
InChIInChI=1S/C17H21F4N5O/c1-4-26(5-2)15-23-14(22-13-8-6-7-12(19)9-13)24-16(25-15)27-10-17(20,21)11(3)18/h6-9,11H,4-5,10H2,1-3H3,(H,22,23,24,25)
InChIKeyVMPPLZAFWOXPEV-UHFFFAOYSA-N
XLogP3.97
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

3-[[4-(diethylamino)-6-[3-fluoro-2-methyl-2,3-bis(phosphanyl)propoxy]-1,3,5-triazin-2-yl]amino]benzaldehyde
CID 170393924
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 158298723
2-N,2-N-diethyl-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-(4-nitrophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;2-N-(3-methylphenyl)-4-N-prop-2-enyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine;4-N-methyl-2-N-phenyl-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 159494297
4-N-ethyl-2-N-(3-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80737117
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
6-ethoxy-2-N-ethyl-2-N-(3-fluorophenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80792211
N,N-diethyl-4-hydrazinyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80910058
2-N,4-N-diethyl-2-N-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285934
4-[2-[4-(diethylamino)phenyl]ethyl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039876
4-N-[3-(1,1-difluoroethyl)phenyl]-2-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 70992647
6-(2,2-difluoroethoxy)-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 82009098
N,N-diethyl-4-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 175232801

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine (CID 157249601) is 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(F)c2)nc(OCC(F)(F)C(C)F)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is VMPPLZAFWOXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N5O/c1-4-26(5-2)15-23-14(22-13-8-6-7-12(19)9-13)24-16(25-15)27-10-17(20,21)11(3)18/h6-9,11H,4-5,10H2,1-3H3,(H,22,23,24,25).
What are the key properties of 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 387.38 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-(3-fluorophenyl)-6-(2,2,3-trifluorobutoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157249601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).