ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine

C69H81N19OS — CID 145472560

About ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine

ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine (PubChem CID 145472560) has the molecular formula C69H81N19OS and a molecular weight of 1224.61 g/mol. Its IUPAC name is ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine.

Molecular Properties

• Compound Name: ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine
• PubChem CID: 145472560
• Molecular Formula: C69H81N19OS
• Molecular Weight: 1224.61 g/mol
• Exact Mass: 1223.66
• IUPAC Name: ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine
• SMILES: CC.CC.CCN(CCN(C)c1ccc(-c2ccccc2)nn1)c1ncccn1.c1ccc(-c2cc(N3CCOCC3)c(N3CCN(c4ncccn4)CC3)nn2)cc1.c1ccc(Sc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1
• InChI: InChI=1S/C24H22N6S.C22H25N7O.C19H22N6.2C2H6/c1-3-8-19(9-4-1)23-21(31-20-10-5-2-6-11-20)18-22(27-28-23)29-14-16-30(17-15-29)24-25-12-7-13-26-24;1-2-5-18(6-3-1)19-17-20(27-13-15-30-16-14-27)21(26-25-19)28-9-11-29(12-10-28)22-23-7-4-8-24-22;1-3-25(19-20-12-7-13-21-19)15-14-24(2)18-11-10-17(22-23-18)16-8-5-4-6-9-16;2*1-2/h1-13,18H,14-17H2;1-8,17H,9-16H2;4-13H,3,14-15H2,1-2H3;2*1-2H3
• InChIKey: GWGCWOCPSBVVKO-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 186.59 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.61
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?

The IUPAC name of ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine (CID 145472560) is ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine.

What is the SMILES notation for ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?

The canonical SMILES for ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine is CC.CC.CCN(CCN(C)c1ccc(-c2ccccc2)nn1)c1ncccn1.c1ccc(-c2cc(N3CCOCC3)c(N3CCN(c4ncccn4)CC3)nn2)cc1.c1ccc(Sc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1.

What is the InChIKey of ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?

The InChIKey is GWGCWOCPSBVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S.C22H25N7O.C19H22N6.2C2H6/c1-3-8-19(9-4-1)23-21(31-20-10-5-2-6-11-20)18-22(27-28-23)29-14-16-30(17-15-29)24-25-12-7-13-26-24;1-2-5-18(6-3-1)19-17-20(27-13-15-30-16-14-27)21(26-25-19)28-9-11-29(12-10-28)22-23-7-4-8-24-22;1-3-25(19-20-12-7-13-21-19)15-14-24(2)18-11-10-17(22-23-18)16-8-5-4-6-9-16;2*1-2/h1-13,18H,14-17H2;1-8,17H,9-16H2;4-13H,3,14-15H2,1-2H3;2*1-2H3.

What are the key properties of ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine?

ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine has a molecular weight of 1224.61 g/mol, XLogP of 11.46, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N'-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)-N'-pyrimidin-2-ylethane-1,2-diamine;3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine;4-[6-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-4-yl]morpholine is sourced from PubChem (CID 145472560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).