potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride

C125H176BrCl3F3IKN20O26+ — CID 159494592

IUPACpotassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride
SMILESC.C1CCOC1.C=CC(F)(F)F.C=Cc1ccc(C(=O)OC)cn1.CN1CCC2CCC(C(=O)CCc3nccnc3Cl)CN2C1=O.CN1CCC2CCC(C(=O)O)CN2C1=O.CN1CCN(C)C1=O.COC(=O)C1CCC(CCNCc2ccc(OC)cc2OC)NC1.COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1.COc1ccc(CN)c(OC)c1.Cl.NCc1nccnc1Cl.[2H]CI.[K+]
InChIInChI=1S/C19H26N2O5.C18H28N2O4.C18H22N2O4.C16H21ClN4O2.C10H16N2O3.C9H13NO2.C9H9NO2.C7H6BrNO2.C5H6ClN3.C5H10N2O.C4H8O.C3H3F3.CH3I.CH4.ClH.K/c1-24-16-7-5-13(17(10-16)25-2)11-20-9-8-15-6-4-14(18(22)26-3)12-21(15)19(20)23;2*1-22-16-7-5-13(17(10-16)23-2)11-19-9-8-15-6-4-14(12-20-15)18(21)24-3;1-20-9-6-12-3-2-11(10-21(12)16(20)23)14(22)5-4-13-15(17)19-8-7-18-13;1-11-5-4-8-3-2-7(9(13)14)6-12(8)10(11)15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-8-5-4-7(6-10-8)9(11)12-2;1-11-7(10)5-2-3-6(8)9-4-5;6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8;1-2-4-5-3-1;1-2-3(4,5)6;1-2;;;/h5,7,10,14-15H,4,6,8-9,11-12H2,1-3H3;5,7,10,14-15,19-20H,4,6,8-9,11-12H2,1-3H3;4-7,10,12,19H,8-9,11H2,1-3H3;7-8,11-12H,2-6,9-10H2,1H3;7-8H,2-6H2,1H3,(H,13,14);3-5H,6,10H2,1-2H3;3-6H,1H2,2H3;2-4H,1H3;1-2H,3,7H2;3-4H2,1-2H3;1-4H2;2H,1H2;1H3;1H4;1H;/q;;;;;;;;;;;;;;;+1/i;;;;;;;;;;;;1D;;;
InChIKeyZFBZCFJOUFOHIV-ISZTXAHWSA-N
MW2785.16 g/mol
LogP15.52
Rot. Bonds33

About potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride

potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride (PubChem CID 159494592) has the molecular formula C125H176BrCl3F3IKN20O26+ and a molecular weight of 2785.16 g/mol. Its IUPAC name is potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride.

Molecular Properties

Compound Namepotassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride
PubChem CID159494592
Molecular FormulaC125H176BrCl3F3IKN20O26+
Molecular Weight2785.16 g/mol
Exact Mass2781.00
IUPAC Namepotassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride
SMILESC.C1CCOC1.C=CC(F)(F)F.C=Cc1ccc(C(=O)OC)cn1.CN1CCC2CCC(C(=O)CCc3nccnc3Cl)CN2C1=O.CN1CCC2CCC(C(=O)O)CN2C1=O.CN1CCN(C)C1=O.COC(=O)C1CCC(CCNCc2ccc(OC)cc2OC)NC1.COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1.COc1ccc(CN)c(OC)c1.Cl.NCc1nccnc1Cl.[2H]CI.[K+]
InChIInChI=1S/C19H26N2O5.C18H28N2O4.C18H22N2O4.C16H21ClN4O2.C10H16N2O3.C9H13NO2.C9H9NO2.C7H6BrNO2.C5H6ClN3.C5H10N2O.C4H8O.C3H3F3.CH3I.CH4.ClH.K/c1-24-16-7-5-13(17(10-16)25-2)11-20-9-8-15-6-4-14(18(22)26-3)12-21(15)19(20)23;2*1-22-16-7-5-13(17(10-16)23-2)11-19-9-8-15-6-4-14(12-20-15)18(21)24-3;1-20-9-6-12-3-2-11(10-21(12)16(20)23)14(22)5-4-13-15(17)19-8-7-18-13;1-11-5-4-8-3-2-7(9(13)14)6-12(8)10(11)15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-8-5-4-7(6-10-8)9(11)12-2;1-11-7(10)5-2-3-6(8)9-4-5;6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8;1-2-4-5-3-1;1-2-3(4,5)6;1-2;;;/h5,7,10,14-15H,4,6,8-9,11-12H2,1-3H3;5,7,10,14-15,19-20H,4,6,8-9,11-12H2,1-3H3;4-7,10,12,19H,8-9,11H2,1-3H3;7-8,11-12H,2-6,9-10H2,1H3;7-8H,2-6H2,1H3,(H,13,14);3-5H,6,10H2,1-2H3;3-6H,1H2,2H3;2-4H,1H3;1-2H,3,7H2;3-4H2,1-2H3;1-4H2;2H,1H2;1H3;1H4;1H;/q;;;;;;;;;;;;;;;+1/i;;;;;;;;;;;;1D;;;
InChIKeyZFBZCFJOUFOHIV-ISZTXAHWSA-N
XLogP15.52
TPSA541.50 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002785.16
LogP ≤ 515.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(7R)-7-(8-chloroimidazo[1,5-a]pyrazin-3-yl)-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;hydrochloride
CID 158256737
4-(6-amino-3-pyridinyl)oxan-4-ol;2-bromo-5-iodopyridine;4-(6-bromo-3-pyridinyl)oxan-4-ol;4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;oxan-4-one
CID 161440665

Frequently Asked Questions

What is the IUPAC name of potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride?
The IUPAC name of potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride (CID 159494592) is potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride.
What is the SMILES notation for potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride?
The canonical SMILES for potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride is C.C1CCOC1.C=CC(F)(F)F.C=Cc1ccc(C(=O)OC)cn1.CN1CCC2CCC(C(=O)CCc3nccnc3Cl)CN2C1=O.CN1CCC2CCC(C(=O)O)CN2C1=O.CN1CCN(C)C1=O.COC(=O)C1CCC(CCNCc2ccc(OC)cc2OC)NC1.COC(=O)C1CCC2CCN(Cc3ccc(OC)cc3OC)C(=O)N2C1.COC(=O)c1ccc(Br)nc1.COC(=O)c1ccc(CCNCc2ccc(OC)cc2OC)nc1.COc1ccc(CN)c(OC)c1.Cl.NCc1nccnc1Cl.[2H]CI.[K+].
What is the InChIKey of potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride?
The InChIKey is ZFBZCFJOUFOHIV-ISZTXAHWSA-N. The full InChI is InChI=1S/C19H26N2O5.C18H28N2O4.C18H22N2O4.C16H21ClN4O2.C10H16N2O3.C9H13NO2.C9H9NO2.C7H6BrNO2.C5H6ClN3.C5H10N2O.C4H8O.C3H3F3.CH3I.CH4.ClH.K/c1-24-16-7-5-13(17(10-16)25-2)11-20-9-8-15-6-4-14(18(22)26-3)12-21(15)19(20)23;2*1-22-16-7-5-13(17(10-16)23-2)11-19-9-8-15-6-4-14(12-20-15)18(21)24-3;1-20-9-6-12-3-2-11(10-21(12)16(20)23)14(22)5-4-13-15(17)19-8-7-18-13;1-11-5-4-8-3-2-7(9(13)14)6-12(8)10(11)15;1-11-8-4-3-7(6-10)9(5-8)12-2;1-3-8-5-4-7(6-10-8)9(11)12-2;1-11-7(10)5-2-3-6(8)9-4-5;6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8;1-2-4-5-3-1;1-2-3(4,5)6;1-2;;;/h5,7,10,14-15H,4,6,8-9,11-12H2,1-3H3;5,7,10,14-15,19-20H,4,6,8-9,11-12H2,1-3H3;4-7,10,12,19H,8-9,11H2,1-3H3;7-8,11-12H,2-6,9-10H2,1H3;7-8H,2-6H2,1H3,(H,13,14);3-5H,6,10H2,1-2H3;3-6H,1H2,2H3;2-4H,1H3;1-2H,3,7H2;3-4H2,1-2H3;1-4H2;2H,1H2;1H3;1H4;1H;/q;;;;;;;;;;;;;;;+1/i;;;;;;;;;;;;1D;;;.
What are the key properties of potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride?
potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride has a molecular weight of 2785.16 g/mol, XLogP of 15.52, 33 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(3-chloropyrazin-2-yl)methanamine;7-[3-(3-chloropyrazin-2-yl)propanoyl]-2-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidin-1-one;deuterio(iodo)methane;(2,4-dimethoxyphenyl)methanamine;1,3-dimethylimidazolidin-2-one;methane;methyl 6-bromopyridine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperidine-3-carboxylate;methyl 6-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]pyridine-3-carboxylate;methyl 2-[(2,4-dimethoxyphenyl)methyl]-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylate;methyl 6-ethenylpyridine-3-carboxylate;2-methyl-1-oxo-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine-7-carboxylic acid;oxolane;3,3,3-trifluoroprop-1-ene;hydrochloride is sourced from PubChem (CID 159494592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).