2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine

C175H193BrCl3N35O16 — CID 157204429

IUPAC2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(=O)c1cccnc1.CN(C)/C=C/C(=O)c1cccnc1.COC(OC)N(C)C.COCCN.COCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Cc4nccc(-c5cccnc5)n4)c3)cc2)CC1.COCCN1CCNCC1.COCCNCc1ccc(C(=O)Nc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.Cc1ccc(N)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc([N+](=O)[O-])cc1Br.Cc1ccc([N+](=O)[O-])cc1Cc1nccc(-c2cccnc2)n1.Nc1nccc(-c2cccnc2)n1.O=C(Cl)c1ccc(CCl)cc1
InChIInChI=1S/C32H36N6O2.C28H29N5O2.C25H21ClN4O.C17H14N4O2.C17H16N4.C10H12N2O.C9H8N4.C8H6Cl2O.C7H6BrNO2.C7H16N2O.C7H7NO.C5H13NO2.C3H9NO/c1-24-5-10-29(20-28(24)21-31-34-13-11-30(36-31)27-4-3-12-33-22-27)35-32(39)26-8-6-25(7-9-26)23-38-16-14-37(15-17-38)18-19-40-2;1-20-5-10-25(32-28(34)22-8-6-21(7-9-22)18-30-14-15-35-2)16-24(20)17-27-31-13-11-26(33-27)23-4-3-12-29-19-23;1-17-4-9-22(29-25(31)19-7-5-18(15-26)6-8-19)13-21(17)14-24-28-12-10-23(30-24)20-3-2-11-27-16-20;1-12-4-5-15(21(22)23)9-14(12)10-17-19-8-6-16(20-17)13-3-2-7-18-11-13;1-12-4-5-15(18)9-14(12)10-17-20-8-6-16(21-17)13-3-2-7-19-11-13;1-12(2)7-5-10(13)9-4-3-6-11-8-9;10-9-12-5-3-8(13-9)7-2-1-4-11-6-7;9-5-6-1-3-7(4-2-6)8(10)11;1-5-2-3-6(9(10)11)4-7(5)8;1-10-7-6-9-4-2-8-3-5-9;1-6(9)7-3-2-4-8-5-7;1-6(2)5(7-3)8-4;1-5-3-2-4/h3-13,20,22H,14-19,21,23H2,1-2H3,(H,35,39);3-13,16,19,30H,14-15,17-18H2,1-2H3,(H,32,34);2-13,16H,14-15H2,1H3,(H,29,31);2-9,11H,10H2,1H3;2-9,11H,10,18H2,1H3;3-8H,1-2H3;1-6H,(H2,10,12,13);1-4H,5H2;2-4H,1H3;8H,2-7H2,1H3;2-5H,1H3;5H,1-4H3;2-4H2,1H3/b;;;;;7-5+;;;;;;;
InChIKeyAREKVDAXZNZOKM-RCMMIJNBSA-N
MW3228.96 g/mol
LogP29.14
Rot. Bonds49

About 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine

2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 157204429) has the molecular formula C175H193BrCl3N35O16 and a molecular weight of 3228.96 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine
PubChem CID157204429
Molecular FormulaC175H193BrCl3N35O16
Molecular Weight3228.96 g/mol
Exact Mass3224.36
IUPAC Name2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine
SMILESCC(=O)c1cccnc1.CN(C)/C=C/C(=O)c1cccnc1.COC(OC)N(C)C.COCCN.COCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Cc4nccc(-c5cccnc5)n4)c3)cc2)CC1.COCCN1CCNCC1.COCCNCc1ccc(C(=O)Nc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.Cc1ccc(N)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc([N+](=O)[O-])cc1Br.Cc1ccc([N+](=O)[O-])cc1Cc1nccc(-c2cccnc2)n1.Nc1nccc(-c2cccnc2)n1.O=C(Cl)c1ccc(CCl)cc1
InChIInChI=1S/C32H36N6O2.C28H29N5O2.C25H21ClN4O.C17H14N4O2.C17H16N4.C10H12N2O.C9H8N4.C8H6Cl2O.C7H6BrNO2.C7H16N2O.C7H7NO.C5H13NO2.C3H9NO/c1-24-5-10-29(20-28(24)21-31-34-13-11-30(36-31)27-4-3-12-33-22-27)35-32(39)26-8-6-25(7-9-26)23-38-16-14-37(15-17-38)18-19-40-2;1-20-5-10-25(32-28(34)22-8-6-21(7-9-22)18-30-14-15-35-2)16-24(20)17-27-31-13-11-26(33-27)23-4-3-12-29-19-23;1-17-4-9-22(29-25(31)19-7-5-18(15-26)6-8-19)13-21(17)14-24-28-12-10-23(30-24)20-3-2-11-27-16-20;1-12-4-5-15(21(22)23)9-14(12)10-17-19-8-6-16(20-17)13-3-2-7-18-11-13;1-12-4-5-15(18)9-14(12)10-17-20-8-6-16(21-17)13-3-2-7-19-11-13;1-12(2)7-5-10(13)9-4-3-6-11-8-9;10-9-12-5-3-8(13-9)7-2-1-4-11-6-7;9-5-6-1-3-7(4-2-6)8(10)11;1-5-2-3-6(9(10)11)4-7(5)8;1-10-7-6-9-4-2-8-3-5-9;1-6(9)7-3-2-4-8-5-7;1-6(2)5(7-3)8-4;1-5-3-2-4/h3-13,20,22H,14-19,21,23H2,1-2H3,(H,35,39);3-13,16,19,30H,14-15,17-18H2,1-2H3,(H,32,34);2-13,16H,14-15H2,1H3,(H,29,31);2-9,11H,10H2,1H3;2-9,11H,10,18H2,1H3;3-8H,1-2H3;1-6H,(H2,10,12,13);1-4H,5H2;2-4H,1H3;8H,2-7H2,1H3;2-5H,1H3;5H,1-4H3;2-4H2,1H3/b;;;;;7-5+;;;;;;;
InChIKeyAREKVDAXZNZOKM-RCMMIJNBSA-N
XLogP29.14
TPSA656.29 Ų
H-Bond Donors8
H-Bond Acceptors46
Rotatable Bonds49
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003228.96
LogP ≤ 529.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine (CID 157204429) is 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine is CC(=O)c1cccnc1.CN(C)/C=C/C(=O)c1cccnc1.COC(OC)N(C)C.COCCN.COCCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Cc4nccc(-c5cccnc5)n4)c3)cc2)CC1.COCCN1CCNCC1.COCCNCc1ccc(C(=O)Nc2ccc(C)c(Cc3nccc(-c4cccnc4)n3)c2)cc1.Cc1ccc(N)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1Cc1nccc(-c2cccnc2)n1.Cc1ccc([N+](=O)[O-])cc1Br.Cc1ccc([N+](=O)[O-])cc1Cc1nccc(-c2cccnc2)n1.Nc1nccc(-c2cccnc2)n1.O=C(Cl)c1ccc(CCl)cc1.
What is the InChIKey of 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is AREKVDAXZNZOKM-RCMMIJNBSA-N. The full InChI is InChI=1S/C32H36N6O2.C28H29N5O2.C25H21ClN4O.C17H14N4O2.C17H16N4.C10H12N2O.C9H8N4.C8H6Cl2O.C7H6BrNO2.C7H16N2O.C7H7NO.C5H13NO2.C3H9NO/c1-24-5-10-29(20-28(24)21-31-34-13-11-30(36-31)27-4-3-12-33-22-27)35-32(39)26-8-6-25(7-9-26)23-38-16-14-37(15-17-38)18-19-40-2;1-20-5-10-25(32-28(34)22-8-6-21(7-9-22)18-30-14-15-35-2)16-24(20)17-27-31-13-11-26(33-27)23-4-3-12-29-19-23;1-17-4-9-22(29-25(31)19-7-5-18(15-26)6-8-19)13-21(17)14-24-28-12-10-23(30-24)20-3-2-11-27-16-20;1-12-4-5-15(21(22)23)9-14(12)10-17-19-8-6-16(20-17)13-3-2-7-18-11-13;1-12-4-5-15(18)9-14(12)10-17-20-8-6-16(21-17)13-3-2-7-19-11-13;1-12(2)7-5-10(13)9-4-3-6-11-8-9;10-9-12-5-3-8(13-9)7-2-1-4-11-6-7;9-5-6-1-3-7(4-2-6)8(10)11;1-5-2-3-6(9(10)11)4-7(5)8;1-10-7-6-9-4-2-8-3-5-9;1-6(9)7-3-2-4-8-5-7;1-6(2)5(7-3)8-4;1-5-3-2-4/h3-13,20,22H,14-19,21,23H2,1-2H3,(H,35,39);3-13,16,19,30H,14-15,17-18H2,1-2H3,(H,32,34);2-13,16H,14-15H2,1H3,(H,29,31);2-9,11H,10H2,1H3;2-9,11H,10,18H2,1H3;3-8H,1-2H3;1-6H,(H2,10,12,13);1-4H,5H2;2-4H,1H3;8H,2-7H2,1H3;2-5H,1H3;5H,1-4H3;2-4H2,1H3/b;;;;;7-5+;;;;;;;.
What are the key properties of 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine?
2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 3228.96 g/mol, XLogP of 29.14, 49 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-4-nitrobenzene;4-(chloromethyl)benzoyl chloride;4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1,1-dimethoxy-N,N-dimethylmethanamine;(E)-3-(dimethylamino)-1-pyridin-3-ylprop-2-en-1-one;2-methoxyethanamine;4-[(2-methoxyethylamino)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;1-(2-methoxyethyl)piperazine;4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]phenyl]benzamide;2-[(2-methyl-5-nitrophenyl)methyl]-4-pyridin-3-ylpyrimidine;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]aniline;1-pyridin-3-ylethanone;4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 157204429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).