1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione

C74H67Cl6F24N28O9P — CID 159573244

IUPAC1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione
SMILESC.C.CC(C)(O)CN.CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.COC(=O)c1cccc(C(F)(F)F)n1.FC(F)(F)c1cc(Nc2nc(Cl)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.FC(F)(F)c1cccc(-c2nc(Cl)nc(Cl)n2)n1.NC(=O)NC(N)=O.Nc1ccnc(C(F)(F)F)c1.O=P(Cl)(Cl)Cl.O=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H17F6N7O.C15H7ClF6N6.C9H3Cl2F3N4.C9H5F3N4O2.C8H6F3NO2.C6H5F3N2.C4H11NO.C2H5N3O2.2CH4.Cl3OP/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;16-12-26-11(8-2-1-3-9(25-8)14(17,18)19)27-13(28-12)24-7-4-5-23-10(6-7)15(20,21)22;10-7-16-6(17-8(11)18-7)4-2-1-3-5(15-4)9(12,13)14;10-9(11,12)5-3-1-2-4(13-5)6-14-7(17)16-8(18)15-6;1-14-7(13)5-3-2-4-6(12-5)8(9,10)11;7-6(8,9)5-3-4(10)1-2-11-5;1-4(2,6)3-5;3-1(6)5-2(4)7;;;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1-6H,(H,23,24,26,27,28);1-3H;1-3H,(H2,14,15,16,17,18);2-4H,1H3;1-3H,(H2,10,11);6H,3,5H2,1-2H3;(H5,3,4,5,6,7);2*1H4;
InChIKeyMIBUWXWNZNHHMG-UHFFFAOYSA-N
MW2192.18 g/mol
LogP18.96
Rot. Bonds13

About 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione

1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione (PubChem CID 159573244) has the molecular formula C74H67Cl6F24N28O9P and a molecular weight of 2192.18 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione
PubChem CID159573244
Molecular FormulaC74H67Cl6F24N28O9P
Molecular Weight2192.18 g/mol
Exact Mass2188.31
IUPAC Name1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione
SMILESC.C.CC(C)(O)CN.CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.COC(=O)c1cccc(C(F)(F)F)n1.FC(F)(F)c1cc(Nc2nc(Cl)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.FC(F)(F)c1cccc(-c2nc(Cl)nc(Cl)n2)n1.NC(=O)NC(N)=O.Nc1ccnc(C(F)(F)F)c1.O=P(Cl)(Cl)Cl.O=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=O)[nH]1
InChIInChI=1S/C19H17F6N7O.C15H7ClF6N6.C9H3Cl2F3N4.C9H5F3N4O2.C8H6F3NO2.C6H5F3N2.C4H11NO.C2H5N3O2.2CH4.Cl3OP/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;16-12-26-11(8-2-1-3-9(25-8)14(17,18)19)27-13(28-12)24-7-4-5-23-10(6-7)15(20,21)22;10-7-16-6(17-8(11)18-7)4-2-1-3-5(15-4)9(12,13)14;10-9(11,12)5-3-1-2-4(13-5)6-14-7(17)16-8(18)15-6;1-14-7(13)5-3-2-4-6(12-5)8(9,10)11;7-6(8,9)5-3-4(10)1-2-11-5;1-4(2,6)3-5;3-1(6)5-2(4)7;;;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1-6H,(H,23,24,26,27,28);1-3H;1-3H,(H2,14,15,16,17,18);2-4H,1H3;1-3H,(H2,10,11);6H,3,5H2,1-2H3;(H5,3,4,5,6,7);2*1H4;
InChIKeyMIBUWXWNZNHHMG-UHFFFAOYSA-N
XLogP18.96
TPSA567.91 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002192.18
LogP ≤ 518.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione (CID 159573244) is 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione is C.C.CC(C)(O)CN.CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.COC(=O)c1cccc(C(F)(F)F)n1.FC(F)(F)c1cc(Nc2nc(Cl)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.FC(F)(F)c1cccc(-c2nc(Cl)nc(Cl)n2)n1.NC(=O)NC(N)=O.Nc1ccnc(C(F)(F)F)c1.O=P(Cl)(Cl)Cl.O=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=O)[nH]1.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione?
The InChIKey is MIBUWXWNZNHHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N7O.C15H7ClF6N6.C9H3Cl2F3N4.C9H5F3N4O2.C8H6F3NO2.C6H5F3N2.C4H11NO.C2H5N3O2.2CH4.Cl3OP/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25;16-12-26-11(8-2-1-3-9(25-8)14(17,18)19)27-13(28-12)24-7-4-5-23-10(6-7)15(20,21)22;10-7-16-6(17-8(11)18-7)4-2-1-3-5(15-4)9(12,13)14;10-9(11,12)5-3-1-2-4(13-5)6-14-7(17)16-8(18)15-6;1-14-7(13)5-3-2-4-6(12-5)8(9,10)11;7-6(8,9)5-3-4(10)1-2-11-5;1-4(2,6)3-5;3-1(6)5-2(4)7;;;1-5(2,3)4/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32);1-6H,(H,23,24,26,27,28);1-3H;1-3H,(H2,14,15,16,17,18);2-4H,1H3;1-3H,(H2,10,11);6H,3,5H2,1-2H3;(H5,3,4,5,6,7);2*1H4;.
What are the key properties of 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione?
1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione has a molecular weight of 2192.18 g/mol, XLogP of 18.96, 13 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;carbamoylurea;4-chloro-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine;2,4-dichloro-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine;methane;methyl 6-(trifluoromethyl)pyridine-2-carboxylate;2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]propan-2-ol;phosphoryl trichloride;2-(trifluoromethyl)pyridin-4-amine;6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 159573244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).