6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

C93H120ClF4N31O2 — CID 158172918

About 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile (PubChem CID 158172918) has the molecular formula C93H120ClF4N31O2 and a molecular weight of 1815.64 g/mol. Its IUPAC name is 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile.

Molecular Properties

• Compound Name: 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
• PubChem CID: 158172918
• Molecular Formula: C93H120ClF4N31O2
• Molecular Weight: 1815.64 g/mol
• Exact Mass: 1813.99
• IUPAC Name: 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
• SMILES: CC(C)CNc1nc(NC(C)(C)C#N)nc(-c2cc(O)ccc2F)n1.CCN(CC)c1nc(N[C@H](C)C2CC2)nc(-c2cccc(Cl)n2)n1.C[C@@H](Nc1nc(NC(C)(C)C#N)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(CO)c2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(N3CCC3)n2)n1)C1CC1
• InChI: InChI=1S/C21H29N7.C20H27N5O.C18H20F3N7.C17H23ClN6.C17H21FN6O/c1-13(15-7-8-15)22-20-25-19(26-21(27-20)23-14(2)16-9-10-16)17-5-3-6-18(24-17)28-11-4-12-28;1-12(15-6-7-15)21-19-23-18(17-5-3-4-14(10-17)11-26)24-20(25-19)22-13(2)16-8-9-16;1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21;1-4-24(5-2)17-22-15(13-7-6-8-14(18)20-13)21-16(23-17)19-11(3)12-9-10-12;1-10(2)8-20-15-21-14(12-7-11(25)5-6-13(12)18)22-16(23-15)24-17(3,4)9-19/h3,5-6,13-16H,4,7-12H2,1-2H3,(H2,22,23,25,26,27);3-5,10,12-13,15-16,26H,6-9,11H2,1-2H3,(H2,21,22,23,24,25);4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28);6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,21,22,23);5-7,10,25H,8H2,1-4H3,(H2,20,21,22,23,24)/t13-,14-;12-,13-;10-;11-;/m1111./s1
• InChIKey: FXRFTJJMWDYALH-ZUYXVFSJSA-N
• XLogP: 17.70
• TPSA: 434.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 35
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1815.64
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?

The IUPAC name of 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile (CID 158172918) is 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile.

What is the SMILES notation for 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?

The canonical SMILES for 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile is CC(C)CNc1nc(NC(C)(C)C#N)nc(-c2cc(O)ccc2F)n1.CCN(CC)c1nc(N[C@H](C)C2CC2)nc(-c2cccc(Cl)n2)n1.C[C@@H](Nc1nc(NC(C)(C)C#N)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(CO)c2)n1)C1CC1.C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(-c2cccc(N3CCC3)n2)n1)C1CC1.

What is the InChIKey of 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?

The InChIKey is FXRFTJJMWDYALH-ZUYXVFSJSA-N. The full InChI is InChI=1S/C21H29N7.C20H27N5O.C18H20F3N7.C17H23ClN6.C17H21FN6O/c1-13(15-7-8-15)22-20-25-19(26-21(27-20)23-14(2)16-9-10-16)17-5-3-6-18(24-17)28-11-4-12-28;1-12(15-6-7-15)21-19-23-18(17-5-3-4-14(10-17)11-26)24-20(25-19)22-13(2)16-8-9-16;1-10(11-7-8-11)23-15-25-14(26-16(27-15)28-17(2,3)9-22)12-5-4-6-13(24-12)18(19,20)21;1-4-24(5-2)17-22-15(13-7-6-8-14(18)20-13)21-16(23-17)19-11(3)12-9-10-12;1-10(2)8-20-15-21-14(12-7-11(25)5-6-13(12)18)22-16(23-15)24-17(3,4)9-19/h3,5-6,13-16H,4,7-12H2,1-2H3,(H2,22,23,25,26,27);3-5,10,12-13,15-16,26H,6-9,11H2,1-2H3,(H2,21,22,23,24,25);4-6,10-11H,7-8H2,1-3H3,(H2,23,25,26,27,28);6-8,11-12H,4-5,9-10H2,1-3H3,(H,19,21,22,23);5-7,10,25H,8H2,1-4H3,(H2,20,21,22,23,24)/t13-,14-;12-,13-;10-;11-;/m1111./s1.

What are the key properties of 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile?

6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile has a molecular weight of 1815.64 g/mol, XLogP of 17.70, 35 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(azetidin-1-yl)-2-pyridinyl]-2-N,4-N-bis[(1R)-1-cyclopropylethyl]-1,3,5-triazine-2,4-diamine;[3-[4,6-bis[[(1R)-1-cyclopropylethyl]amino]-1,3,5-triazin-2-yl]phenyl]methanol;6-(6-chloro-2-pyridinyl)-4-N-[(1R)-1-cyclopropylethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine;2-[[4-[[(1R)-1-cyclopropylethyl]amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile;2-[[4-(2-fluoro-5-hydroxyphenyl)-6-(2-methylpropylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 158172918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).