2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C36H35Cl3N16OS2 — CID 158326093

About 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158326093) has the molecular formula C36H35Cl3N16OS2 and a molecular weight of 878.28 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158326093
• Molecular Formula: C36H35Cl3N16OS2
• Molecular Weight: 878.28 g/mol
• Exact Mass: 876.17
• IUPAC Name: 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: Cc1c[nH]c2nc(Cl)nc(NCc3ccncn3)c12.Cc1c[nH]c2nc(Cl)nc(NCc3nccs3)c12.Cc1cn(CCO)c2nc(Cl)nc(NCc3nccs3)c12
• InChI: InChI=1S/C13H14ClN5OS.C12H11ClN6.C11H10ClN5S/c1-8-7-19(3-4-20)12-10(8)11(17-13(14)18-12)16-6-9-15-2-5-21-9;1-7-4-15-10-9(7)11(19-12(13)18-10)16-5-8-2-3-14-6-17-8;1-6-4-14-9-8(6)10(17-11(12)16-9)15-5-7-13-2-3-18-7/h2,5,7,20H,3-4,6H2,1H3,(H,16,17,18);2-4,6H,5H2,1H3,(H2,15,16,18,19);2-4H,5H2,1H3,(H2,14,15,16,17)
• InChIKey: GPKRMAZQTJWOPL-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 221.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	878.28
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 158326093) is 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1c[nH]c2nc(Cl)nc(NCc3ccncn3)c12.Cc1c[nH]c2nc(Cl)nc(NCc3nccs3)c12.Cc1cn(CCO)c2nc(Cl)nc(NCc3nccs3)c12.

What is the InChIKey of 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is GPKRMAZQTJWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5OS.C12H11ClN6.C11H10ClN5S/c1-8-7-19(3-4-20)12-10(8)11(17-13(14)18-12)16-6-9-15-2-5-21-9;1-7-4-15-10-9(7)11(19-12(13)18-10)16-5-8-2-3-14-6-17-8;1-6-4-14-9-8(6)10(17-11(12)16-9)15-5-7-13-2-3-18-7/h2,5,7,20H,3-4,6H2,1H3,(H,16,17,18);2-4,6H,5H2,1H3,(H2,15,16,18,19);2-4H,5H2,1H3,(H2,14,15,16,17).

What are the key properties of 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 878.28 g/mol, XLogP of 7.76, 11 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-5-methyl-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-5-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158326093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).