2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine

C88H113N25O4S8 — CID 158170512

About 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine

2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 158170512) has the molecular formula C88H113N25O4S8 and a molecular weight of 1841.58 g/mol. Its IUPAC name is 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

• Compound Name: 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine
• PubChem CID: 158170512
• Molecular Formula: C88H113N25O4S8
• Molecular Weight: 1841.58 g/mol
• Exact Mass: 1839.72
• IUPAC Name: 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine
• SMILES: Cc1cc(N)nc(SC(C)c2nc(-c3ccnc(OCCN4CCC4)c3)sc2C)n1.Cc1cc(N)nc(SC(C)c2nc(-c3ccnc(OCCN4CCCC4)c3)sc2C)n1.Cc1cc(N)nc(SC(C)c2nc(-c3ccnc(OCCN4CCCCC4)c3)sc2C)n1.Cc1sc(-c2ccnc(OCCN3CCCCC3)c2)nc1C(C)Sc1nc(N)cc(N)n1
• InChI: InChI=1S/C23H30N6OS2.C22H29N7OS2.C22H28N6OS2.C21H26N6OS2/c1-15-13-19(24)27-23(26-15)32-17(3)21-16(2)31-22(28-21)18-7-8-25-20(14-18)30-12-11-29-9-5-4-6-10-29;1-14-20(15(2)32-22-26-17(23)13-18(24)27-22)28-21(31-14)16-6-7-25-19(12-16)30-11-10-29-8-4-3-5-9-29;1-14-12-18(23)26-22(25-14)31-16(3)20-15(2)30-21(27-20)17-6-7-24-19(13-17)29-11-10-28-8-4-5-9-28;1-13-11-17(22)25-21(24-13)30-15(3)19-14(2)29-20(26-19)16-5-6-23-18(12-16)28-10-9-27-7-4-8-27/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H2,24,26,27);6-7,12-13,15H,3-5,8-11H2,1-2H3,(H4,23,24,26,27);6-7,12-13,16H,4-5,8-11H2,1-3H3,(H2,23,25,26);5-6,11-12,15H,4,7-10H2,1-3H3,(H2,22,24,25)
• InChIKey: FXJTXVHPOKTPDC-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 386.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.58
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine?

The IUPAC name of 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine (CID 158170512) is 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine.

What is the SMILES notation for 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine?

The canonical SMILES for 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine is Cc1cc(N)nc(SC(C)c2nc(-c3ccnc(OCCN4CCC4)c3)sc2C)n1.Cc1cc(N)nc(SC(C)c2nc(-c3ccnc(OCCN4CCCC4)c3)sc2C)n1.Cc1cc(N)nc(SC(C)c2nc(-c3ccnc(OCCN4CCCCC4)c3)sc2C)n1.Cc1sc(-c2ccnc(OCCN3CCCCC3)c2)nc1C(C)Sc1nc(N)cc(N)n1.

What is the InChIKey of 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine?

The InChIKey is FXJTXVHPOKTPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS2.C22H29N7OS2.C22H28N6OS2.C21H26N6OS2/c1-15-13-19(24)27-23(26-15)32-17(3)21-16(2)31-22(28-21)18-7-8-25-20(14-18)30-12-11-29-9-5-4-6-10-29;1-14-20(15(2)32-22-26-17(23)13-18(24)27-22)28-21(31-14)16-6-7-25-19(12-16)30-11-10-29-8-4-3-5-9-29;1-14-12-18(23)26-22(25-14)31-16(3)20-15(2)30-21(27-20)17-6-7-24-19(13-17)29-11-10-28-8-4-5-9-28;1-13-11-17(22)25-21(24-13)30-15(3)19-14(2)29-20(26-19)16-5-6-23-18(12-16)28-10-9-27-7-4-8-27/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H2,24,26,27);6-7,12-13,15H,3-5,8-11H2,1-2H3,(H4,23,24,26,27);6-7,12-13,16H,4-5,8-11H2,1-3H3,(H2,23,25,26);5-6,11-12,15H,4,7-10H2,1-3H3,(H2,22,24,25).

What are the key properties of 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine?

2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 1841.58 g/mol, XLogP of 17.75, 32 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[2-[2-(azetidin-1-yl)ethoxy]-4-pyridinyl]-5-methyl-1,3-thiazol-4-yl]ethylsulfanyl]-6-methylpyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;6-methyl-2-[1-[5-methyl-2-[2-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidin-4-amine;2-[1-[5-methyl-2-[2-(2-piperidin-1-ylethoxy)-4-pyridinyl]-1,3-thiazol-4-yl]ethylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 158170512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).