4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine

C138H162ClF5N32O3S2 — CID 163852616

IUPAC4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1c(F)ccc2ncccc12.Cc1ccc2nc(N3CCOCC3)nc(C)c2c1.Cc1ccc2ncnc(C)c2c1.Cc1cccc2[nH]ccc12.Cc1ccnnc1C.Cc1cnc(N)nc1C.Cc1cnc(N2CCC(F)(F)CC2)nc1C.Cc1cnc(N2CCOCC2)nc1C.Cc1cncnc1C.Cc1csc(N2CCOCC2)n1.Cc1cscn1.Cc1nc(C)c2cc(F)ccc2n1.Cc1ncc2c(C)c(F)ccc2n1.Cc1nccc(Cl)c1C.Cc1nccc2cccn12.Cc1ncnc2c1CCCC2
InChIInChI=1S/C14H17N3O.C11H15F2N3.2C10H9FN2.C10H8FN.C10H15N3O.C10H10N2.C9H12N2.C9H9N.C8H12N2OS.C8H8N2.C7H8ClN.C6H9N3.2C6H8N2.C4H5NS/c1-10-3-4-13-12(9-10)11(2)15-14(16-13)17-5-7-18-8-6-17;1-8-7-14-10(15-9(8)2)16-5-3-11(12,13)4-6-16;1-6-8-5-12-7(2)13-10(8)4-3-9(6)11;1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-7-8-3-2-6-12-10(8)5-4-9(7)11;1-8-7-11-10(12-9(8)2)13-3-5-14-6-4-13;1-7-3-4-10-9(5-7)8(2)11-6-12-10;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-12-8(9-7)10-2-4-11-5-3-10;1-7-9-5-4-8-3-2-6-10(7)8;1-5-6(2)9-4-3-7(5)8;1-4-3-8-6(7)9-5(4)2;1-5-3-7-4-8-6(5)2;1-5-3-4-7-8-6(5)2;1-4-2-6-3-5-4/h3-4,9H,5-8H2,1-2H3;7H,3-6H2,1-2H3;2*3-5H,1-2H3;2-6H,1H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6H,2-5H2,1H3;2-6,10H,1H3;6H,2-5H2,1H3;2-6H,1H3;3-4H,1-2H3;3H,1-2H3,(H2,7,8,9);2*3-4H,1-2H3;2-3H,1H3
InChIKeyOVQMOCWLUDFCER-UHFFFAOYSA-N
MW2511.61 g/mol
LogP28.78
Rot. Bonds4

About 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine

4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 163852616) has the molecular formula C138H162ClF5N32O3S2 and a molecular weight of 2511.61 g/mol. Its IUPAC name is 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID163852616
Molecular FormulaC138H162ClF5N32O3S2
Molecular Weight2511.61 g/mol
Exact Mass2509.26
IUPAC Name4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1c(F)ccc2ncccc12.Cc1ccc2nc(N3CCOCC3)nc(C)c2c1.Cc1ccc2ncnc(C)c2c1.Cc1cccc2[nH]ccc12.Cc1ccnnc1C.Cc1cnc(N)nc1C.Cc1cnc(N2CCC(F)(F)CC2)nc1C.Cc1cnc(N2CCOCC2)nc1C.Cc1cncnc1C.Cc1csc(N2CCOCC2)n1.Cc1cscn1.Cc1nc(C)c2cc(F)ccc2n1.Cc1ncc2c(C)c(F)ccc2n1.Cc1nccc(Cl)c1C.Cc1nccc2cccn12.Cc1ncnc2c1CCCC2
InChIInChI=1S/C14H17N3O.C11H15F2N3.2C10H9FN2.C10H8FN.C10H15N3O.C10H10N2.C9H12N2.C9H9N.C8H12N2OS.C8H8N2.C7H8ClN.C6H9N3.2C6H8N2.C4H5NS/c1-10-3-4-13-12(9-10)11(2)15-14(16-13)17-5-7-18-8-6-17;1-8-7-14-10(15-9(8)2)16-5-3-11(12,13)4-6-16;1-6-8-5-12-7(2)13-10(8)4-3-9(6)11;1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-7-8-3-2-6-12-10(8)5-4-9(7)11;1-8-7-11-10(12-9(8)2)13-3-5-14-6-4-13;1-7-3-4-10-9(5-7)8(2)11-6-12-10;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-12-8(9-7)10-2-4-11-5-3-10;1-7-9-5-4-8-3-2-6-10(7)8;1-5-6(2)9-4-3-7(5)8;1-4-3-8-6(7)9-5(4)2;1-5-3-7-4-8-6(5)2;1-5-3-4-7-8-6(5)2;1-4-2-6-3-5-4/h3-4,9H,5-8H2,1-2H3;7H,3-6H2,1-2H3;2*3-5H,1-2H3;2-6H,1H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6H,2-5H2,1H3;2-6,10H,1H3;6H,2-5H2,1H3;2-6H,1H3;3-4H,1-2H3;3H,1-2H3,(H2,7,8,9);2*3-4H,1-2H3;2-3H,1H3
InChIKeyOVQMOCWLUDFCER-UHFFFAOYSA-N
XLogP28.78
TPSA409.12 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds4
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.61
LogP ≤ 528.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Analyze 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine with MolForge

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Related Compounds

5-chloro-4-methylpyrimidin-2-amine;4-chloro-2-methyl-3-(trifluoromethyl)pyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;2,4-dimethyl-1H-indole;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;bis(4,5-dimethylpyrimidine);4,5-dimethylpyrimidine-2-carboxamide;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-fluoro-5-methylquinoline;5-methylimidazo[1,2-c]pyrimidine;4-methyl-1H-indole;4-(1-methylisoquinolin-3-yl)morpholine;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;bis(4-methyl-5,6,7,8-tetrahydroquinazoline);4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine;4-methyl-2-(trifluoromethyl)-1H-indole
CID 157957855
4-chloro-2,3-dimethylpyridine;6-(3,3-difluoroazetidin-1-yl)-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;bis(4,5-dimethylpyrimidin-2-amine);tetrakis(4,5-dimethylpyrimidine);4,5-dimethylpyrimidine-2-carboxamide;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;methane;4-methyl-1H-indole;4-methylpyrimidine;bis(4-methyl-5,6,7,8-tetrahydroquinazoline);4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 159215712
4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;bis(4,5-dimethylpyrimidin-2-amine);bis(4,5-dimethylpyrimidine);4,5-dimethylpyrimidine-2-carboxamide;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,5-dimethylquinazoline;6-fluoro-2,4-dimethylquinoline;5-fluoro-4-methylpyrimidine;6-fluoro-4-methylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;4-methylpyrimidine;1-methylpyrrolo[1,2-c]pyrimidine;bis(4-methyl-5,6,7,8-tetrahydroquinazoline);4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine;4-methyl-5-(trifluoromethyl)pyrimidine
CID 161052501
4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;bis(4,5-dimethylpyrimidin-2-amine);bis(4,5-dimethylpyrimidine);4,5-dimethylpyrimidine-2-carboxamide;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;5-fluoro-4-methylpyrimidine;6-fluoro-4-methylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;4-methylpyrimidine;1-methylpyrrolo[1,2-c]pyrimidine;bis(4-methyl-5,6,7,8-tetrahydroquinazoline);4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine;4-methyl-5-(trifluoromethyl)pyrimidine
CID 161291013
3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine
CID 157461234
1-[4-[6-chloro-8-fluoro-7-(5-fluoro-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-yl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one;1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)-2-(1,3-thiazol-5-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(5-methyl-1H-indazol-4-yl)-2-(oxolan-3-ylamino)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157672922
carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide
CID 158341281
3,4-dimethylpyridazine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinazoline;4-methyl-1H-indole;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 159299279
bis(2,4-dimethyl-1H-indole);3,4-dimethylpyridazine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;4-(5-fluoro-4-methylpyrimidin-2-yl)morpholine;6-fluoro-5-methylquinazoline;methane;5-methylimidazo[1,2-c]pyrimidine;4-methyl-1H-indole;4-methylpyrimidine-5-carbonitrile;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 159911264
4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[7-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;2-(6-morpholin-4-ylpyridazin-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-amine
CID 160773699
carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(6-fluoro-1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1H-indole;6-fluoro-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-1H-indole;methane;tungsten;hydroiodide
CID 161173663
carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-1H-indole;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-6-fluoro-1H-indole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]-6-fluoro-1H-indole;methane;tungsten;hydroiodide
CID 161585452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 163852616) is 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1c(F)ccc2ncccc12.Cc1ccc2nc(N3CCOCC3)nc(C)c2c1.Cc1ccc2ncnc(C)c2c1.Cc1cccc2[nH]ccc12.Cc1ccnnc1C.Cc1cnc(N)nc1C.Cc1cnc(N2CCC(F)(F)CC2)nc1C.Cc1cnc(N2CCOCC2)nc1C.Cc1cncnc1C.Cc1csc(N2CCOCC2)n1.Cc1cscn1.Cc1nc(C)c2cc(F)ccc2n1.Cc1ncc2c(C)c(F)ccc2n1.Cc1nccc(Cl)c1C.Cc1nccc2cccn12.Cc1ncnc2c1CCCC2.
What is the InChIKey of 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is OVQMOCWLUDFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.C11H15F2N3.2C10H9FN2.C10H8FN.C10H15N3O.C10H10N2.C9H12N2.C9H9N.C8H12N2OS.C8H8N2.C7H8ClN.C6H9N3.2C6H8N2.C4H5NS/c1-10-3-4-13-12(9-10)11(2)15-14(16-13)17-5-7-18-8-6-17;1-8-7-14-10(15-9(8)2)16-5-3-11(12,13)4-6-16;1-6-8-5-12-7(2)13-10(8)4-3-9(6)11;1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-7-8-3-2-6-12-10(8)5-4-9(7)11;1-8-7-11-10(12-9(8)2)13-3-5-14-6-4-13;1-7-3-4-10-9(5-7)8(2)11-6-12-10;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-3-2-4-9-8(7)5-6-10-9;1-7-6-12-8(9-7)10-2-4-11-5-3-10;1-7-9-5-4-8-3-2-6-10(7)8;1-5-6(2)9-4-3-7(5)8;1-4-3-8-6(7)9-5(4)2;1-5-3-7-4-8-6(5)2;1-5-3-4-7-8-6(5)2;1-4-2-6-3-5-4/h3-4,9H,5-8H2,1-2H3;7H,3-6H2,1-2H3;2*3-5H,1-2H3;2-6H,1H3;7H,3-6H2,1-2H3;3-6H,1-2H3;6H,2-5H2,1H3;2-6,10H,1H3;6H,2-5H2,1H3;2-6H,1H3;3-4H,1-2H3;3H,1-2H3,(H2,7,8,9);2*3-4H,1-2H3;2-3H,1H3.
What are the key properties of 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 2511.61 g/mol, XLogP of 28.78, 4 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dimethylpyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;4,5-dimethylpyrimidine;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;6-fluoro-5-methylquinoline;4-methyl-1H-indole;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-5,6,7,8-tetrahydroquinazoline;4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 163852616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).