4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone

C71H67ClN24O6S6 — CID 158270381

About 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone

4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone (PubChem CID 158270381) has the molecular formula C71H67ClN24O6S6 and a molecular weight of 1580.33 g/mol. Its IUPAC name is 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone
• PubChem CID: 158270381
• Molecular Formula: C71H67ClN24O6S6
• Molecular Weight: 1580.33 g/mol
• Exact Mass: 1578.37
• IUPAC Name: 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone
• SMILES: Cc1cc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)no1.Cc1cc(-c2nc(N)c3cc(C(=O)NCc4cccnc4)sc3n2)no1.Cc1csc(-c2nc(N)c3cc(C(=O)N4CCN(C(C)(C)C)CC4)sc3n2)n1.Cc1csc(-c2nc(N)c3cc(C(=O)NCc4ccc(Cl)nc4)sc3n2)n1
• InChI: InChI=1S/C19H24N6OS2.C18H16N6O2S.C17H13ClN6OS2.C17H14N6O2S/c1-11-10-27-17(21-11)15-22-14(20)12-9-13(28-16(12)23-15)18(26)24-5-7-25(8-6-24)19(2,3)4;1-10-7-13(24-26-10)16-22-15(19)12-8-14(27-18(12)23-16)17(25)21-6-4-11-3-2-5-20-9-11;1-8-7-26-17(22-8)14-23-13(19)10-4-11(27-16(10)24-14)15(25)21-6-9-2-3-12(18)20-5-9;1-9-5-12(23-25-9)15-21-14(18)11-6-13(26-17(11)22-15)16(24)20-8-10-3-2-4-19-7-10/h9-10H,5-8H2,1-4H3,(H2,20,22,23);2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H2,19,22,23);2-5,7H,6H2,1H3,(H,21,25)(H2,19,23,24);2-7H,8H2,1H3,(H,20,24)(H2,18,21,22)
• InChIKey: GIYLRCOVWCJCMW-UHFFFAOYSA-N
• XLogP: 12.11
• TPSA: 434.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1580.33
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone?

The IUPAC name of 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone (CID 158270381) is 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone.

What is the SMILES notation for 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone?

The canonical SMILES for 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone is Cc1cc(-c2nc(N)c3cc(C(=O)NCCc4cccnc4)sc3n2)no1.Cc1cc(-c2nc(N)c3cc(C(=O)NCc4cccnc4)sc3n2)no1.Cc1csc(-c2nc(N)c3cc(C(=O)N4CCN(C(C)(C)C)CC4)sc3n2)n1.Cc1csc(-c2nc(N)c3cc(C(=O)NCc4ccc(Cl)nc4)sc3n2)n1.

What is the InChIKey of 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone?

The InChIKey is GIYLRCOVWCJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS2.C18H16N6O2S.C17H13ClN6OS2.C17H14N6O2S/c1-11-10-27-17(21-11)15-22-14(20)12-9-13(28-16(12)23-15)18(26)24-5-7-25(8-6-24)19(2,3)4;1-10-7-13(24-26-10)16-22-15(19)12-8-14(27-18(12)23-16)17(25)21-6-4-11-3-2-5-20-9-11;1-8-7-26-17(22-8)14-23-13(19)10-4-11(27-16(10)24-14)15(25)21-6-9-2-3-12(18)20-5-9;1-9-5-12(23-25-9)15-21-14(18)11-6-13(26-17(11)22-15)16(24)20-8-10-3-2-4-19-7-10/h9-10H,5-8H2,1-4H3,(H2,20,22,23);2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H2,19,22,23);2-5,7H,6H2,1H3,(H,21,25)(H2,19,23,24);2-7H,8H2,1H3,(H,20,24)(H2,18,21,22).

What are the key properties of 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone?

4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone has a molecular weight of 1580.33 g/mol, XLogP of 12.11, 15 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[(6-chloro-3-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide;4-amino-2-(5-methyl-1,2-oxazol-3-yl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide;[4-amino-2-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-tert-butylpiperazin-1-yl)methanone is sourced from PubChem (CID 158270381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).