2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine

C106H78N30S4 — CID 165078322

About 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine

2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 165078322) has the molecular formula C106H78N30S4 and a molecular weight of 1900.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine
• PubChem CID: 165078322
• Molecular Formula: C106H78N30S4
• Molecular Weight: 1900.27 g/mol
• Exact Mass: 1898.59
• IUPAC Name: 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine
• SMILES: CC(C)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1.CCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1.Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1.c1cc(-c2ncc3c(Nc4ccc5nc(C6CC6)sc5c4)ccnc3n2)ccn1.c1cnc2ccc(Nc3nc(-c4ccncc4)nc4ccncc34)cc2c1
• InChI: InChI=1S/C22H16N6S.C22H18N6S.C21H16N6S.C21H14N6.C20H14N6S/c1-2-14(1)22-27-18-4-3-15(11-19(18)29-22)26-17-7-10-24-21-16(17)12-25-20(28-21)13-5-8-23-9-6-13;1-13(2)22-26-17-6-5-15(12-18(17)29-22)25-21-16-4-3-9-24-20(16)27-19(28-21)14-7-10-23-11-8-14;1-2-18-25-16-6-5-14(12-17(16)28-18)24-21-15-4-3-9-23-20(15)26-19(27-21)13-7-10-22-11-8-13;1-2-15-12-16(3-4-18(15)24-8-1)25-21-17-13-23-11-7-19(17)26-20(27-21)14-5-9-22-10-6-14;1-12-23-16-5-4-14(11-17(16)27-12)24-20-15-3-2-8-22-19(15)25-18(26-20)13-6-9-21-10-7-13/h3-12,14H,1-2H2,(H,24,25,26,28);3-13H,1-2H3,(H,24,25,27,28);3-12H,2H2,1H3,(H,23,24,26,27);1-13H,(H,25,26,27);2-11H,1H3,(H,22,24,25,26)
• InChIKey: URSJUXZPGQMEPH-UHFFFAOYSA-N
• XLogP: 25.01
• TPSA: 382.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1900.27
LogP ≤ 5	25.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine?

The IUPAC name of 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine (CID 165078322) is 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine is CC(C)c1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1.CCc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1.Cc1nc2ccc(Nc3nc(-c4ccncc4)nc4ncccc34)cc2s1.c1cc(-c2ncc3c(Nc4ccc5nc(C6CC6)sc5c4)ccnc3n2)ccn1.c1cnc2ccc(Nc3nc(-c4ccncc4)nc4ccncc34)cc2c1.

What is the InChIKey of 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine?

The InChIKey is URSJUXZPGQMEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6S.C22H18N6S.C21H16N6S.C21H14N6.C20H14N6S/c1-2-14(1)22-27-18-4-3-15(11-19(18)29-22)26-17-7-10-24-21-16(17)12-25-20(28-21)13-5-8-23-9-6-13;1-13(2)22-26-17-6-5-15(12-18(17)29-22)25-21-16-4-3-9-24-20(16)27-19(28-21)14-7-10-23-11-8-14;1-2-18-25-16-6-5-14(12-17(16)28-18)24-21-15-4-3-9-23-20(15)26-19(27-21)13-7-10-22-11-8-13;1-2-15-12-16(3-4-18(15)24-8-1)25-21-17-13-23-11-7-19(17)26-20(27-21)14-5-9-22-10-6-14;1-12-23-16-5-4-14(11-17(16)27-12)24-20-15-3-2-8-22-19(15)25-18(26-20)13-6-9-21-10-7-13/h3-12,14H,1-2H2,(H,24,25,26,28);3-13H,1-2H3,(H,24,25,27,28);3-12H,2H2,1H3,(H,23,24,26,27);1-13H,(H,25,26,27);2-11H,1H3,(H,22,24,25,26).

What are the key properties of 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine?

2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 1900.27 g/mol, XLogP of 25.01, 18 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-methyl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-propan-2-yl-N-(2-pyridin-4-ylpyrido[2,3-d]pyrimidin-4-yl)-1,3-benzothiazol-6-amine;2-pyridin-4-yl-N-quinolin-6-ylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165078322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).