[3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine

C87H118Cl2F5N25O3 — CID 157291914

IUPAC[3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC(CCCc2ccccc2)C2CCC2)n1.CC(C)(F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1.CC(COc1cc(Cl)cc(CO)c1)Nc1nc(N)nc(C(C)(C)F)n1.CC(COc1cccc(Cl)c1)Nc1nc(N)nc(C(C)(C)F)n1.CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C20H28FN5.C19H26FN5.C17H24FN5.C16H21ClFN5O2.C15H19ClFN5O/c1-20(2,21)17-24-18(22)26-19(25-17)23-16(15-11-7-12-15)13-6-10-14-8-4-3-5-9-14;1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-9-6-10-14)12-11-13-7-4-3-5-8-13;1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16;1-9(8-25-12-5-10(7-24)4-11(17)6-12)20-15-22-13(16(2,3)18)21-14(19)23-15;1-9(8-23-11-6-4-5-10(16)7-11)19-14-21-12(15(2,3)17)20-13(18)22-14/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3,(H3,22,23,24,25,26);3-5,7-8,14-15H,6,9-12H2,1-2H3,(H3,21,22,23,24,25);5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23);4-6,9,24H,7-8H2,1-3H3,(H3,19,20,21,22,23);4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyBAXGCTLDYLKMHF-UHFFFAOYSA-N
MW1727.97 g/mol
LogP17.49
Rot. Bonds35

About [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine

[3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 157291914) has the molecular formula C87H118Cl2F5N25O3 and a molecular weight of 1727.97 g/mol. Its IUPAC name is [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name[3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID157291914
Molecular FormulaC87H118Cl2F5N25O3
Molecular Weight1727.97 g/mol
Exact Mass1725.91
IUPAC Name[3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(F)c1nc(N)nc(NC(CCCc2ccccc2)C2CCC2)n1.CC(C)(F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1.CC(COc1cc(Cl)cc(CO)c1)Nc1nc(N)nc(C(C)(C)F)n1.CC(COc1cccc(Cl)c1)Nc1nc(N)nc(C(C)(C)F)n1.CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C20H28FN5.C19H26FN5.C17H24FN5.C16H21ClFN5O2.C15H19ClFN5O/c1-20(2,21)17-24-18(22)26-19(25-17)23-16(15-11-7-12-15)13-6-10-14-8-4-3-5-9-14;1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-9-6-10-14)12-11-13-7-4-3-5-8-13;1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16;1-9(8-25-12-5-10(7-24)4-11(17)6-12)20-15-22-13(16(2,3)18)21-14(19)23-15;1-9(8-23-11-6-4-5-10(16)7-11)19-14-21-12(15(2,3)17)20-13(18)22-14/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3,(H3,22,23,24,25,26);3-5,7-8,14-15H,6,9-12H2,1-2H3,(H3,21,22,23,24,25);5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23);4-6,9,24H,7-8H2,1-3H3,(H3,19,20,21,22,23);4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyBAXGCTLDYLKMHF-UHFFFAOYSA-N
XLogP17.49
TPSA422.29 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.97
LogP ≤ 517.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine (CID 157291914) is [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine is CC(C)(F)c1nc(N)nc(NC(CCCc2ccccc2)C2CCC2)n1.CC(C)(F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1.CC(COc1cc(Cl)cc(CO)c1)Nc1nc(N)nc(C(C)(C)F)n1.CC(COc1cccc(Cl)c1)Nc1nc(N)nc(C(C)(C)F)n1.CCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BAXGCTLDYLKMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5.C19H26FN5.C17H24FN5.C16H21ClFN5O2.C15H19ClFN5O/c1-20(2,21)17-24-18(22)26-19(25-17)23-16(15-11-7-12-15)13-6-10-14-8-4-3-5-9-14;1-19(2,20)16-23-17(21)25-18(24-16)22-15(14-9-6-10-14)12-11-13-7-4-3-5-8-13;1-4-13(11-10-12-8-6-5-7-9-12)20-16-22-14(17(2,3)18)21-15(19)23-16;1-9(8-25-12-5-10(7-24)4-11(17)6-12)20-15-22-13(16(2,3)18)21-14(19)23-15;1-9(8-23-11-6-4-5-10(16)7-11)19-14-21-12(15(2,3)17)20-13(18)22-14/h3-5,8-9,15-16H,6-7,10-13H2,1-2H3,(H3,22,23,24,25,26);3-5,7-8,14-15H,6,9-12H2,1-2H3,(H3,21,22,23,24,25);5-9,13H,4,10-11H2,1-3H3,(H3,19,20,21,22,23);4-6,9,24H,7-8H2,1-3H3,(H3,19,20,21,22,23);4-7,9H,8H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine?
[3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 1727.97 g/mol, XLogP of 17.49, 35 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[[4-amino-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]amino]propoxy]-5-chlorophenyl]methanol;2-N-[1-(3-chlorophenoxy)propan-2-yl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-4-phenylbutyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;2-N-(1-cyclobutyl-3-phenylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(2-fluoropropan-2-yl)-2-N-(1-phenylpentan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157291914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).