3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C95H120ClF9N26O5S — CID 159610938

IUPAC3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ccnc(NC(C)(C)C)n2)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H18ClF3N4.C16H19F3N4O.C16H19F3N4.C16H21N5O.C16H22N4O.C15H21N5O2S/c1-9-8-21-14(24-15(2,3)4)23-13(9)22-10-5-6-12(17)11(7-10)16(18,19)20;1-10-9-20-14(23-15(2,3)4)22-13(10)21-11-6-5-7-12(8-11)24-16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-11(6-8-12)16(17,18)19;1-10-9-18-15(21-16(2,3)4)20-14(10)19-12-7-5-6-11(8-12)13(17)22;1-11-12(7-6-8-13(11)21-5)18-14-9-10-17-15(19-14)20-16(2,3)4;1-10-9-17-14(20-15(2,3)4)19-13(10)18-11-6-5-7-12(8-11)23(16,21)22/h5-8H,1-4H3,(H2,21,22,23,24);5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,17,22)(H2,18,19,20,21);6-10H,1-5H3,(H2,17,18,19,20);5-9H,1-4H3,(H2,16,21,22)(H2,17,18,19,20)
InChIKeyMMRIRZVZKODIDU-UHFFFAOYSA-N
MW1944.68 g/mol
LogP23.78
Rot. Bonds22

About 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 159610938) has the molecular formula C95H120ClF9N26O5S and a molecular weight of 1944.68 g/mol. Its IUPAC name is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID159610938
Molecular FormulaC95H120ClF9N26O5S
Molecular Weight1944.68 g/mol
Exact Mass1942.92
IUPAC Name3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2ccnc(NC(C)(C)C)n2)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H18ClF3N4.C16H19F3N4O.C16H19F3N4.C16H21N5O.C16H22N4O.C15H21N5O2S/c1-9-8-21-14(24-15(2,3)4)23-13(9)22-10-5-6-12(17)11(7-10)16(18,19)20;1-10-9-20-14(23-15(2,3)4)22-13(10)21-11-6-5-7-12(8-11)24-16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-11(6-8-12)16(17,18)19;1-10-9-18-15(21-16(2,3)4)20-14(10)19-12-7-5-6-11(8-12)13(17)22;1-11-12(7-6-8-13(11)21-5)18-14-9-10-17-15(19-14)20-16(2,3)4;1-10-9-17-14(20-15(2,3)4)19-13(10)18-11-6-5-7-12(8-11)23(16,21)22/h5-8H,1-4H3,(H2,21,22,23,24);5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,17,22)(H2,18,19,20,21);6-10H,1-5H3,(H2,17,18,19,20);5-9H,1-4H3,(H2,16,21,22)(H2,17,18,19,20)
InChIKeyMMRIRZVZKODIDU-UHFFFAOYSA-N
XLogP23.78
TPSA420.75 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds22
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.68
LogP ≤ 523.78
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 159610938) is 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is COc1cccc(Nc2ccnc(NC(C)(C)C)n2)c1C.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(C(F)(F)F)cc1.Cc1cnc(NC(C)(C)C)nc1Nc1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(C(N)=O)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(OC(F)(F)F)c1.Cc1cnc(NC(C)(C)C)nc1Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is MMRIRZVZKODIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N4.C16H19F3N4O.C16H19F3N4.C16H21N5O.C16H22N4O.C15H21N5O2S/c1-9-8-21-14(24-15(2,3)4)23-13(9)22-10-5-6-12(17)11(7-10)16(18,19)20;1-10-9-20-14(23-15(2,3)4)22-13(10)21-11-6-5-7-12(8-11)24-16(17,18)19;1-10-9-20-14(23-15(2,3)4)22-13(10)21-12-7-5-11(6-8-12)16(17,18)19;1-10-9-18-15(21-16(2,3)4)20-14(10)19-12-7-5-6-11(8-12)13(17)22;1-11-12(7-6-8-13(11)21-5)18-14-9-10-17-15(19-14)20-16(2,3)4;1-10-9-17-14(20-15(2,3)4)19-13(10)18-11-6-5-7-12(8-11)23(16,21)22/h5-8H,1-4H3,(H2,21,22,23,24);5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,20,21,22,23);5-9H,1-4H3,(H2,17,22)(H2,18,19,20,21);6-10H,1-5H3,(H2,17,18,19,20);5-9H,1-4H3,(H2,16,21,22)(H2,17,18,19,20).
What are the key properties of 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 1944.68 g/mol, XLogP of 23.78, 22 rotatable bonds, 14 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzamide;3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]benzenesulfonamide;2-N-tert-butyl-4-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(3-methoxy-2-methylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159610938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).