6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate

C105H108BrF3N34O13-2 — CID 159992933

About 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate

6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate (PubChem CID 159992933) has the molecular formula C105H108BrF3N34O13-2 and a molecular weight of 2191.14 g/mol. Its IUPAC name is 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate.

Molecular Properties

• Compound Name: 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate
• PubChem CID: 159992933
• Molecular Formula: C105H108BrF3N34O13-2
• Molecular Weight: 2191.14 g/mol
• Exact Mass: 2188.80
• IUPAC Name: 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate
• SMILES: Brc1cncnc1.Cc1ccc(N)cc1N1CCc2nc(Nc3cncnc3)ncc2C1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3cncnc3)ncc2C1.Cc1ccc([N+](=O)[O-])cc1N1CCC(=O)/C(=C\N(C)C)C1.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(Nc3cncnc3)ncc2C1.Cc1cccc(C(=O)O)c1.O=C([O-])[O-].[H]N=C(N)N
• InChI: InChI=1S/C26H22F3N7O.C18H17N7O2.C18H19N7.C15H19N3O3.C14H15N5O2.C8H8O2.C4H3BrN2.CH5N3.CH2O3/c1-16-5-6-20(33-24(37)17-3-2-4-19(9-17)26(27,28)29)10-23(16)36-8-7-22-18(14-36)11-32-25(35-22)34-21-12-30-15-31-13-21;1-12-2-3-15(25(26)27)6-17(12)24-5-4-16-13(10-24)7-21-18(23-16)22-14-8-19-11-20-9-14;1-12-2-3-14(19)6-17(12)25-5-4-16-13(10-25)7-22-18(24-16)23-15-8-20-11-21-9-15;1-11-4-5-13(18(20)21)8-14(11)17-7-6-15(19)12(10-17)9-16(2)3;1-9-2-3-11(19(20)21)6-13(9)18-5-4-12-10(8-18)7-16-14(15)17-12;1-6-3-2-4-7(5-6)8(9)10;5-4-1-6-3-7-2-4;2*2-1(3)4/h2-6,9-13,15H,7-8,14H2,1H3,(H,33,37)(H,32,34,35);2-3,6-9,11H,4-5,10H2,1H3,(H,21,22,23);2-3,6-9,11H,4-5,10,19H2,1H3,(H,22,23,24);4-5,8-9H,6-7,10H2,1-3H3;2-3,6-7H,4-5,8H2,1H3,(H2,15,16,17);2-5H,1H3,(H,9,10);1-3H;(H5,2,3,4);(H2,2,3,4)/p-2/b;;;12-9-
• InChIKey: OHEGEBZUETYYOU-MWJJZJODSA-L
• XLogP: 13.70
• TPSA: 665.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2191.14
LogP ≤ 5	13.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate?

The IUPAC name of 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate (CID 159992933) is 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate.

What is the SMILES notation for 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate?

The canonical SMILES for 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate is Brc1cncnc1.Cc1ccc(N)cc1N1CCc2nc(Nc3cncnc3)ncc2C1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1CCc2nc(Nc3cncnc3)ncc2C1.Cc1ccc([N+](=O)[O-])cc1N1CCC(=O)/C(=C\N(C)C)C1.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(N)ncc2C1.Cc1ccc([N+](=O)[O-])cc1N1CCc2nc(Nc3cncnc3)ncc2C1.Cc1cccc(C(=O)O)c1.O=C([O-])[O-].[H]N=C(N)N.

What is the InChIKey of 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate?

The InChIKey is OHEGEBZUETYYOU-MWJJZJODSA-L. The full InChI is InChI=1S/C26H22F3N7O.C18H17N7O2.C18H19N7.C15H19N3O3.C14H15N5O2.C8H8O2.C4H3BrN2.CH5N3.CH2O3/c1-16-5-6-20(33-24(37)17-3-2-4-19(9-17)26(27,28)29)10-23(16)36-8-7-22-18(14-36)11-32-25(35-22)34-21-12-30-15-31-13-21;1-12-2-3-15(25(26)27)6-17(12)24-5-4-16-13(10-24)7-21-18(23-16)22-14-8-19-11-20-9-14;1-12-2-3-14(19)6-17(12)25-5-4-16-13(10-25)7-22-18(24-16)23-15-8-20-11-21-9-15;1-11-4-5-13(18(20)21)8-14(11)17-7-6-15(19)12(10-17)9-16(2)3;1-9-2-3-11(19(20)21)6-13(9)18-5-4-12-10(8-18)7-16-14(15)17-12;1-6-3-2-4-7(5-6)8(9)10;5-4-1-6-3-7-2-4;2*2-1(3)4/h2-6,9-13,15H,7-8,14H2,1H3,(H,33,37)(H,32,34,35);2-3,6-9,11H,4-5,10H2,1H3,(H,21,22,23);2-3,6-9,11H,4-5,10,19H2,1H3,(H,22,23,24);4-5,8-9H,6-7,10H2,1-3H3;2-3,6-7H,4-5,8H2,1H3,(H2,15,16,17);2-5H,1H3,(H,9,10);1-3H;(H5,2,3,4);(H2,2,3,4)/p-2/b;;;12-9-;;;;;.

What are the key properties of 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate?

6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate has a molecular weight of 2191.14 g/mol, XLogP of 13.70, 18 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-amino-2-methylphenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;5-bromopyrimidine;(3Z)-3-(dimethylaminomethylidene)-1-(2-methyl-5-nitrophenyl)piperidin-4-one;guanidine;3-methylbenzoic acid;6-(2-methyl-5-nitrophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;6-(2-methyl-5-nitrophenyl)-N-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine;N-[4-methyl-3-[2-(pyrimidin-5-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;carbonate is sourced from PubChem (CID 159992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).