2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

C56H43Cl7F2N28OS — CID 160739449

About 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine

2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (PubChem CID 160739449) has the molecular formula C56H43Cl7F2N28OS and a molecular weight of 1442.39 g/mol. Its IUPAC name is 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

• Compound Name: 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
• PubChem CID: 160739449
• Molecular Formula: C56H43Cl7F2N28OS
• Molecular Weight: 1442.39 g/mol
• Exact Mass: 1438.17
• IUPAC Name: 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine
• SMILES: COc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.Clc1nc(NCc2ccncc2Cl)c2[nH]cnc2n1.Clc1nc(NCc2ccncc2Cl)c2cc[nH]c2n1.Fc1cnccc1CNc1nc(Cl)nc2[nH]ccc12.Fc1cnccc1CNc1nc(Cl)nc2nc[nH]c12
• InChI: InChI=1S/C12H9Cl2N5.C12H9ClFN5.C11H8Cl2N6.C11H8ClFN6.C10H9ClN6OS/c13-9-6-15-3-1-7(9)5-17-11-8-2-4-16-10(8)18-12(14)19-11;13-12-18-10-8(2-4-16-10)11(19-12)17-5-7-1-3-15-6-9(7)14;12-7-4-14-2-1-6(7)3-15-9-8-10(17-5-16-8)19-11(13)18-9;12-11-18-9(8-10(19-11)17-5-16-8)15-3-6-1-2-14-4-7(6)13;1-18-10-14-6-7(13-4-5-12-2-3-19-5)15-9(11)16-8(6)17-10/h2*1-4,6H,5H2,(H2,16,17,18,19);2*1-2,4-5H,3H2,(H2,15,16,17,18,19);2-3H,4H2,1H3,(H2,13,14,15,16,17)
• InChIKey: RVJOBLSOKWHQKA-UHFFFAOYSA-N
• XLogP: 12.93
• TPSA: 380.35 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1442.39
LogP ≤ 5	12.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

The IUPAC name of 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine (CID 160739449) is 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine.

What is the SMILES notation for 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

The canonical SMILES for 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is COc1nc2nc(Cl)nc(NCc3nccs3)c2[nH]1.Clc1nc(NCc2ccncc2Cl)c2[nH]cnc2n1.Clc1nc(NCc2ccncc2Cl)c2cc[nH]c2n1.Fc1cnccc1CNc1nc(Cl)nc2[nH]ccc12.Fc1cnccc1CNc1nc(Cl)nc2nc[nH]c12.

What is the InChIKey of 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

The InChIKey is RVJOBLSOKWHQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5.C12H9ClFN5.C11H8Cl2N6.C11H8ClFN6.C10H9ClN6OS/c13-9-6-15-3-1-7(9)5-17-11-8-2-4-16-10(8)18-12(14)19-11;13-12-18-10-8(2-4-16-10)11(19-12)17-5-7-1-3-15-6-9(7)14;12-7-4-14-2-1-6(7)3-15-9-8-10(17-5-16-8)19-11(13)18-9;12-11-18-9(8-10(19-11)17-5-16-8)15-3-6-1-2-14-4-7(6)13;1-18-10-14-6-7(13-4-5-12-2-3-19-5)15-9(11)16-8(6)17-10/h2*1-4,6H,5H2,(H2,16,17,18,19);2*1-2,4-5H,3H2,(H2,15,16,17,18,19);2-3H,4H2,1H3,(H2,13,14,15,16,17).

What are the key properties of 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine?

2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 1442.39 g/mol, XLogP of 12.93, 16 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-chloro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine;2-chloro-N-[(3-fluoro-4-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-8-methoxy-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 160739449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).