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

C58H49Cl5F3N29O2S — CID 158520545

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

2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158520545) has the molecular formula C58H49Cl5F3N29O2S and a molecular weight of 1450.56 g/mol. Its IUPAC name is 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158520545
• Molecular Formula: C58H49Cl5F3N29O2S
• Molecular Weight: 1450.56 g/mol
• Exact Mass: 1447.27
• IUPAC Name: 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: COc1nc2nc(Cl)nc(N(C)Cc3nccs3)c2[nH]1.Clc1nc(NCc2ccccn2)c2cc[nH]c2n1.Clc1nc(NCc2cnccn2)c2cc[nH]c2n1.FC(F)COc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.Fc1ccccc1CNc1nc(Cl)nc2nc[nH]c12
• InChI: InChI=1S/C12H10ClF2N7O.C12H9ClFN5.C12H10ClN5.C11H11ClN6OS.C11H9ClN6/c13-11-20-9(17-3-6-1-2-16-5-18-6)8-10(21-11)22-12(19-8)23-4-7(14)15;13-12-18-10(9-11(19-12)17-6-16-9)15-5-7-3-1-2-4-8(7)14;13-12-17-10-9(4-6-15-10)11(18-12)16-7-8-3-1-2-5-14-8;1-18(5-6-13-3-4-20-6)9-7-8(15-10(12)17-9)16-11(14-7)19-2;12-11-17-9-8(1-2-15-9)10(18-11)16-6-7-5-13-3-4-14-7/h1-2,5,7H,3-4H2,(H2,17,19,20,21,22);1-4,6H,5H2,(H2,15,16,17,18,19);1-6H,7H2,(H2,15,16,17,18);3-4H,5H2,1-2H3,(H,14,15,16,17);1-5H,6H2,(H2,15,16,17,18)
• InChIKey: HMDYWCIIPJBVPU-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 393.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1450.56
LogP ≤ 5	11.55
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 158520545) is 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

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

The canonical SMILES for 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1nc2nc(Cl)nc(N(C)Cc3nccs3)c2[nH]1.Clc1nc(NCc2ccccn2)c2cc[nH]c2n1.Clc1nc(NCc2cnccn2)c2cc[nH]c2n1.FC(F)COc1nc2nc(Cl)nc(NCc3ccncn3)c2[nH]1.Fc1ccccc1CNc1nc(Cl)nc2nc[nH]c12.

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

The InChIKey is HMDYWCIIPJBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N7O.C12H9ClFN5.C12H10ClN5.C11H11ClN6OS.C11H9ClN6/c13-11-20-9(17-3-6-1-2-16-5-18-6)8-10(21-11)22-12(19-8)23-4-7(14)15;13-12-18-10(9-11(19-12)17-6-16-9)15-5-7-3-1-2-4-8(7)14;13-12-17-10-9(4-6-15-10)11(18-12)16-7-8-3-1-2-5-14-8;1-18(5-6-13-3-4-20-6)9-7-8(15-10(12)17-9)16-11(14-7)19-2;12-11-17-9-8(1-2-15-9)10(18-11)16-6-7-5-13-3-4-14-7/h1-2,5,7H,3-4H2,(H2,17,19,20,21,22);1-4,6H,5H2,(H2,15,16,17,18,19);1-6H,7H2,(H2,15,16,17,18);3-4H,5H2,1-2H3,(H,14,15,16,17);1-5H,6H2,(H2,15,16,17,18).

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

2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1450.56 g/mol, XLogP of 11.55, 19 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158520545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).