4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine

C114H99F18N17O12 — CID 159044193

IUPAC4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine
SMILESC.C.C.C.C.C.COC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.Cc1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.NC(=O)c1nc(N)cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.Nc1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc(N)n1.O=C(O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C19H13F3N2O3.C18H13F3N4O2.C18H12F3N3O2.C18H11F3N2O3.C18H13F3N2O.C17H13F3N4O.6CH4/c1-26-18(25)17-23-10-9-15(24-17)13-6-4-5-12(11-13)14-7-2-3-8-16(14)27-19(20,21)22;19-18(20,21)27-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(22)25-17(24-13)16(23)26;19-18(20,21)26-15-7-2-1-6-13(15)11-4-3-5-12(10-11)14-8-9-23-17(24-14)16(22)25;19-18(20,21)26-15-7-2-1-6-13(15)11-4-3-5-12(10-11)14-8-9-22-16(23-14)17(24)25;1-12-22-10-9-16(23-12)14-6-4-5-13(11-14)15-7-2-3-8-17(15)24-18(19,20)21;18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(21)24-16(22)23-13;;;;;;/h2-11H,1H3;1-9H,(H2,23,26)(H2,22,24,25);1-10H,(H2,22,25);1-10H,(H,24,25);2-11H,1H3;1-9H,(H4,21,22,23,24);6*1H4
InChIKeyJWLGYSGRTACBGJ-UHFFFAOYSA-N
MW2241.12 g/mol
LogP28.81
Rot. Bonds22

About 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine

4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine (PubChem CID 159044193) has the molecular formula C114H99F18N17O12 and a molecular weight of 2241.12 g/mol. Its IUPAC name is 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine
PubChem CID159044193
Molecular FormulaC114H99F18N17O12
Molecular Weight2241.12 g/mol
Exact Mass2239.74
IUPAC Name4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine
SMILESC.C.C.C.C.C.COC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.Cc1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.NC(=O)c1nc(N)cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.Nc1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc(N)n1.O=C(O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C19H13F3N2O3.C18H13F3N4O2.C18H12F3N3O2.C18H11F3N2O3.C18H13F3N2O.C17H13F3N4O.6CH4/c1-26-18(25)17-23-10-9-15(24-17)13-6-4-5-12(11-13)14-7-2-3-8-16(14)27-19(20,21)22;19-18(20,21)27-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(22)25-17(24-13)16(23)26;19-18(20,21)26-15-7-2-1-6-13(15)11-4-3-5-12(10-11)14-8-9-23-17(24-14)16(22)25;19-18(20,21)26-15-7-2-1-6-13(15)11-4-3-5-12(10-11)14-8-9-22-16(23-14)17(24)25;1-12-22-10-9-16(23-12)14-6-4-5-13(11-14)15-7-2-3-8-17(15)24-18(19,20)21;18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(21)24-16(22)23-13;;;;;;/h2-11H,1H3;1-9H,(H2,23,26)(H2,22,24,25);1-10H,(H2,22,25);1-10H,(H,24,25);2-11H,1H3;1-9H,(H4,21,22,23,24);6*1H4
InChIKeyJWLGYSGRTACBGJ-UHFFFAOYSA-N
XLogP28.81
TPSA437.90 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms161
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002241.12
LogP ≤ 528.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine (CID 159044193) is 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine is C.C.C.C.C.C.COC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.Cc1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.NC(=O)c1nc(N)cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.NC(=O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.Nc1cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)nc(N)n1.O=C(O)c1nccc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine?
The InChIKey is JWLGYSGRTACBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O3.C18H13F3N4O2.C18H12F3N3O2.C18H11F3N2O3.C18H13F3N2O.C17H13F3N4O.6CH4/c1-26-18(25)17-23-10-9-15(24-17)13-6-4-5-12(11-13)14-7-2-3-8-16(14)27-19(20,21)22;19-18(20,21)27-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(22)25-17(24-13)16(23)26;19-18(20,21)26-15-7-2-1-6-13(15)11-4-3-5-12(10-11)14-8-9-23-17(24-14)16(22)25;19-18(20,21)26-15-7-2-1-6-13(15)11-4-3-5-12(10-11)14-8-9-22-16(23-14)17(24)25;1-12-22-10-9-16(23-12)14-6-4-5-13(11-14)15-7-2-3-8-17(15)24-18(19,20)21;18-17(19,20)25-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(21)24-16(22)23-13;;;;;;/h2-11H,1H3;1-9H,(H2,23,26)(H2,22,24,25);1-10H,(H2,22,25);1-10H,(H,24,25);2-11H,1H3;1-9H,(H4,21,22,23,24);6*1H4.
What are the key properties of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine?
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine has a molecular weight of 2241.12 g/mol, XLogP of 28.81, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;methane;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine;methyl 4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylate;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159044193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).