3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol

C93H119F8N27O4 — CID 158758143

About 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol

3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol (PubChem CID 158758143) has the molecular formula C93H119F8N27O4 and a molecular weight of 1831.14 g/mol. Its IUPAC name is 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
• PubChem CID: 158758143
• Molecular Formula: C93H119F8N27O4
• Molecular Weight: 1831.14 g/mol
• Exact Mass: 1829.98
• IUPAC Name: 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
• SMILES: CC(O)CNc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1.COc1ccc(F)c(-c2nc(N[C@H](C)C3CC3)nc(N[C@H](C)C3CC3)n2)c1.C[C@@H](Nc1nc(NCC(C)(C)O)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(O)c2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2ccccc2F)n1)C1CC1
• InChI: InChI=1S/C20H26FN5O.C19H24FN5.C19H25N5O.C18H23F3N6O.C17H21F3N6O/c1-11(13-4-5-13)22-19-24-18(16-10-15(27-3)8-9-17(16)21)25-20(26-19)23-12(2)14-6-7-14;1-11(13-7-8-13)21-18-23-17(15-5-3-4-6-16(15)20)24-19(25-18)22-12(2)14-9-10-14;1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14;1-10(11-7-8-11)23-16-26-14(25-15(27-16)22-9-17(2,3)28)12-5-4-6-13(24-12)18(19,20)21;1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h8-14H,4-7H2,1-3H3,(H2,22,23,24,25,26);3-6,11-14H,7-10H2,1-2H3,(H2,21,22,23,24,25);3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24);4-6,10-11,28H,7-9H2,1-3H3,(H2,22,23,25,26,27);3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)/t3*11-,12-;10-;9?,10-/m11111/s1
• InChIKey: IOIGNCBSKKTGKM-PTMRRXCTSA-N
• XLogP: 18.17
• TPSA: 409.35 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1831.14
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?

The IUPAC name of 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol (CID 158758143) is 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol.

What is the SMILES notation for 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?

The canonical SMILES for 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol is CC(O)CNc1nc(N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)n1.COc1ccc(F)c(-c2nc(N[C@H](C)C3CC3)nc(N[C@H](C)C3CC3)n2)c1.C[C@@H](Nc1nc(NCC(C)(C)O)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(O)c2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2ccccc2F)n1)C1CC1.

What is the InChIKey of 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?

The InChIKey is IOIGNCBSKKTGKM-PTMRRXCTSA-N. The full InChI is InChI=1S/C20H26FN5O.C19H24FN5.C19H25N5O.C18H23F3N6O.C17H21F3N6O/c1-11(13-4-5-13)22-19-24-18(16-10-15(27-3)8-9-17(16)21)25-20(26-19)23-12(2)14-6-7-14;1-11(13-7-8-13)21-18-23-17(15-5-3-4-6-16(15)20)24-19(25-18)22-12(2)14-9-10-14;1-11(13-6-7-13)20-18-22-17(15-4-3-5-16(25)10-15)23-19(24-18)21-12(2)14-8-9-14;1-10(11-7-8-11)23-16-26-14(25-15(27-16)22-9-17(2,3)28)12-5-4-6-13(24-12)18(19,20)21;1-9(27)8-21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h8-14H,4-7H2,1-3H3,(H2,22,23,24,25,26);3-6,11-14H,7-10H2,1-2H3,(H2,21,22,23,24,25);3-5,10-14,25H,6-9H2,1-2H3,(H2,20,21,22,23,24);4-6,10-11,28H,7-9H2,1-3H3,(H2,22,23,25,26,27);3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)/t3*11-,12-;10-;9?,10-/m11111/s1.

What are the key properties of 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol?

3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol has a molecular weight of 1831.14 g/mol, XLogP of 18.17, 36 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenol;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluoro-5-methoxyphenyl)-1,3,5-triazine-2,4-diamine;2-N,4-N-bis[(1R)-1-cyclopropylethyl]-6-(2-fluorophenyl)-1,3,5-triazine-2,4-diamine;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;1-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 158758143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).