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

C72H82F3N17O2S2 — CID 159299279

IUPAC3,4-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
SMILESCc1c(F)ccc2ncncc12.Cc1cccc2[nH]ccc12.Cc1ccnnc1C.Cc1cnc(N2CCOCC2)nc1C.Cc1cncnc1C.Cc1csc(N2CCOCC2)n1.Cc1cscn1.Cc1nc(C)c2cc(F)ccc2n1.Cc1ncc2c(C)c(F)ccc2n1
InChIInChI=1S/2C10H9FN2.C10H15N3O.C9H7FN2.C9H9N.C8H12N2OS.2C6H8N2.C4H5NS/c1-6-8-5-12-7(2)13-10(8)4-3-9(6)11;1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-8-7-11-10(12-9(8)2)13-3-5-14-6-4-13;1-6-7-4-11-5-12-9(7)3-2-8(6)10;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;1-5-3-7-4-8-6(5)2;1-5-3-4-7-8-6(5)2;1-4-2-6-3-5-4/h2*3-5H,1-2H3;7H,3-6H2,1-2H3;2-5H,1H3;2-6,10H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;2-3H,1H3
InChIKeyLBCUOPKPRLRWGQ-UHFFFAOYSA-N
MW1338.69 g/mol
LogP15.18
Rot. Bonds2

About 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

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 (PubChem CID 159299279) has the molecular formula C72H82F3N17O2S2 and a molecular weight of 1338.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,4-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
PubChem CID159299279
Molecular FormulaC72H82F3N17O2S2
Molecular Weight1338.69 g/mol
Exact Mass1337.62
IUPAC Name3,4-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
SMILESCc1c(F)ccc2ncncc12.Cc1cccc2[nH]ccc12.Cc1ccnnc1C.Cc1cnc(N2CCOCC2)nc1C.Cc1cncnc1C.Cc1csc(N2CCOCC2)n1.Cc1cscn1.Cc1nc(C)c2cc(F)ccc2n1.Cc1ncc2c(C)c(F)ccc2n1
InChIInChI=1S/2C10H9FN2.C10H15N3O.C9H7FN2.C9H9N.C8H12N2OS.2C6H8N2.C4H5NS/c1-6-8-5-12-7(2)13-10(8)4-3-9(6)11;1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-8-7-11-10(12-9(8)2)13-3-5-14-6-4-13;1-6-7-4-11-5-12-9(7)3-2-8(6)10;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;1-5-3-7-4-8-6(5)2;1-5-3-4-7-8-6(5)2;1-4-2-6-3-5-4/h2*3-5H,1-2H3;7H,3-6H2,1-2H3;2-5H,1H3;2-6,10H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;2-3H,1H3
InChIKeyLBCUOPKPRLRWGQ-UHFFFAOYSA-N
XLogP15.18
TPSA221.19 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds2
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.69
LogP ≤ 515.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Related Compounds

4-[6-[[(5aR,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137633081
4-[6-[[(5aS,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137635017
4-[6-[[(5aR,9aS)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137648826
4-[6-[[(5aS,9aR)-1-methyl-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 155551405
4-[6-[[(5aS,9aS)-1-(trifluoromethyl)-5,5a,6,8,9,9a-hexahydro-4H-[1,2,4]triazolo[4,3-a][1,6]naphthyridin-7-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 137661095
4-[5-(5-fluoro-1H-indol-4-yl)-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 25127688
1-[4-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-[4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)hydrazine
CID 90969908
2-N-(4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;2-N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-[4-[[4-(1H-indazol-5-ylamino)thieno[3,2-d]pyrimidin-2-yl]amino]-2-(trifluoromethyl)phenyl]acetamide
CID 157698279
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(F)ccc2ncncc12.Cc1cccc2[nH]ccc12.Cc1ccnnc1C.Cc1cnc(N2CCOCC2)nc1C.Cc1cncnc1C.Cc1csc(N2CCOCC2)n1.Cc1cscn1.Cc1nc(C)c2cc(F)ccc2n1.Cc1ncc2c(C)c(F)ccc2n1.
What is the InChIKey of 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?
The InChIKey is LBCUOPKPRLRWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9FN2.C10H15N3O.C9H7FN2.C9H9N.C8H12N2OS.2C6H8N2.C4H5NS/c1-6-8-5-12-7(2)13-10(8)4-3-9(6)11;1-6-9-5-8(11)3-4-10(9)13-7(2)12-6;1-8-7-11-10(12-9(8)2)13-3-5-14-6-4-13;1-6-7-4-11-5-12-9(7)3-2-8(6)10;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;1-5-3-7-4-8-6(5)2;1-5-3-4-7-8-6(5)2;1-4-2-6-3-5-4/h2*3-5H,1-2H3;7H,3-6H2,1-2H3;2-5H,1H3;2-6,10H,1H3;6H,2-5H2,1H3;2*3-4H,1-2H3;2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1338.69 g/mol, XLogP of 15.18, 2 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159299279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).