5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C92H64F14N26OS — CID 161154997

IUPAC5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCCSc1ncc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.COc1ncc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)N(Cc1ccccc1)CCC2.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4cccnc34)n[nH]c12
InChIInChI=1S/C28H23F3N6.C22H16F3N7S.C21H13F4N7O.C21H12F4N6/c29-28(30,31)21-13-6-4-11-19(21)25-32-23-15-8-16-37(17-18-9-2-1-3-10-18)24(23)27(33-25)34-26-20-12-5-7-14-22(20)35-36-26;1-2-33-21-26-11-14-18(29-20-13-8-4-6-10-16(13)31-32-20)27-17(28-19(14)30-21)12-7-3-5-9-15(12)22(23,24)25;1-33-20-26-9-12-17(29-19-11-6-4-8-14(22)15(11)31-32-19)27-16(28-18(12)30-20)10-5-2-3-7-13(10)21(23,24)25;22-14-8-3-6-12-16(14)30-31-19(12)29-20-17-15(9-4-10-26-17)27-18(28-20)11-5-1-2-7-13(11)21(23,24)25/h1-7,9-14H,8,15-17H2,(H2,32,33,34,35,36);3-11H,2H2,1H3,(H2,26,27,28,29,30,31,32);2-9H,1H3,(H2,26,27,28,29,30,31,32);1-10H,(H2,27,28,29,30,31)
InChIKeyUPEIUPASZMZQIM-UHFFFAOYSA-N
MW1847.74 g/mol
LogP22.92
Rot. Bonds17

About 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 161154997) has the molecular formula C92H64F14N26OS and a molecular weight of 1847.74 g/mol. Its IUPAC name is 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID161154997
Molecular FormulaC92H64F14N26OS
Molecular Weight1847.74 g/mol
Exact Mass1846.53
IUPAC Name5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCCSc1ncc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.COc1ncc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)N(Cc1ccccc1)CCC2.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4cccnc34)n[nH]c12
InChIInChI=1S/C28H23F3N6.C22H16F3N7S.C21H13F4N7O.C21H12F4N6/c29-28(30,31)21-13-6-4-11-19(21)25-32-23-15-8-16-37(17-18-9-2-1-3-10-18)24(23)27(33-25)34-26-20-12-5-7-14-22(20)35-36-26;1-2-33-21-26-11-14-18(29-20-13-8-4-6-10-16(13)31-32-20)27-17(28-19(14)30-21)12-7-3-5-9-15(12)22(23,24)25;1-33-20-26-9-12-17(29-19-11-6-4-8-14(22)15(11)31-32-19)27-16(28-18(12)30-20)10-5-2-3-7-13(10)21(23,24)25;22-14-8-3-6-12-16(14)30-31-19(12)29-20-17-15(9-4-10-26-17)27-18(28-20)11-5-1-2-7-13(11)21(23,24)25/h1-7,9-14H,8,15-17H2,(H2,32,33,34,35,36);3-11H,2H2,1H3,(H2,26,27,28,29,30,31,32);2-9H,1H3,(H2,26,27,28,29,30,31,32);1-10H,(H2,27,28,29,30,31)
InChIKeyUPEIUPASZMZQIM-UHFFFAOYSA-N
XLogP22.92
TPSA342.88 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001847.74
LogP ≤ 522.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine
CID 20626346
3-N-[2-[2-aminoethylsulfanyl-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-1-N-[3-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]sulfanylpropyl]-1-N,5-dimethylpyrazole-1,3-diamine
CID 70927369
N-[3-[2-[5-(5-amino-3-pyridinyl)-1-[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluoroanilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 136631167
1-[[2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-fluorophenyl)-1H-indol-7-yl]methyl]-3-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylurea
CID 137087771
N-[3-[2-[1-[[2-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(propan-2-ylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 137246347
4-[3-[1-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]-3-(trifluoromethyl)indazol-5-yl]-6-[[7-[3-[[1-(trifluoromethyl)isoquinolin-6-yl]amino]-1H-pyrazolo[3,4-b]pyrazin-5-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]isoquinolin-1-yl]morpholin-3-one
CID 137551823
3-[4-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]-7-[2-[4-[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]piperazin-1-yl]propyl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-7-ium
CID 145664852
N,N-dimethyl-1-[5-[3-[7-[5-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;ethane;3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 145664978
2-(2,4-difluorophenyl)-N-iodo-N-[[5-[8-[2-[2-[[iodo-[(2-phenylphenyl)methyl]amino]methyl]-5-quinolin-4-yl-1H-imidazol-4-yl]-6-methyl-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]ethanamine
CID 156262819
N-(5,7-difluoro-1H-indazol-3-yl)-6-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-8-(4-methylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine;N-(1H-indazol-3-yl)-8-morpholin-4-yl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 157116096
6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
CID 157121403
2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 157150461

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 161154997) is 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is CCSc1ncc2c(Nc3n[nH]c4ccccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.COc1ncc2c(Nc3n[nH]c4c(F)cccc34)nc(-c3ccccc3C(F)(F)F)nc2n1.FC(F)(F)c1ccccc1-c1nc2c(c(Nc3n[nH]c4ccccc34)n1)N(Cc1ccccc1)CCC2.Fc1cccc2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4cccnc34)n[nH]c12.
What is the InChIKey of 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is UPEIUPASZMZQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N6.C22H16F3N7S.C21H13F4N7O.C21H12F4N6/c29-28(30,31)21-13-6-4-11-19(21)25-32-23-15-8-16-37(17-18-9-2-1-3-10-18)24(23)27(33-25)34-26-20-12-5-7-14-22(20)35-36-26;1-2-33-21-26-11-14-18(29-20-13-8-4-6-10-16(13)31-32-20)27-17(28-19(14)30-21)12-7-3-5-9-15(12)22(23,24)25;1-33-20-26-9-12-17(29-19-11-6-4-8-14(22)15(11)31-32-19)27-16(28-18(12)30-20)10-5-2-3-7-13(10)21(23,24)25;22-14-8-3-6-12-16(14)30-31-19(12)29-20-17-15(9-4-10-26-17)27-18(28-20)11-5-1-2-7-13(11)21(23,24)25/h1-7,9-14H,8,15-17H2,(H2,32,33,34,35,36);3-11H,2H2,1H3,(H2,26,27,28,29,30,31,32);2-9H,1H3,(H2,26,27,28,29,30,31,32);1-10H,(H2,27,28,29,30,31).
What are the key properties of 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?
5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 1847.74 g/mol, XLogP of 22.92, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-4-amine;2-ethylsulfanyl-N-(1H-indazol-3-yl)-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-methoxy-7-[2-(trifluoromethyl)phenyl]pyrimido[4,5-d]pyrimidin-5-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 161154997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).