2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol

C51H48Cl4F2N22O3S — CID 162199783

About 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol

2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol (PubChem CID 162199783) has the molecular formula C51H48Cl4F2N22O3S and a molecular weight of 1228.97 g/mol. Its IUPAC name is 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol.

Molecular Properties

• Compound Name: 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol
• PubChem CID: 162199783
• Molecular Formula: C51H48Cl4F2N22O3S
• Molecular Weight: 1228.97 g/mol
• Exact Mass: 1226.27
• IUPAC Name: 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol
• SMILES: Cc1cc2c(NCc3ccncn3)nc(Cl)nc2[nH]1.OCCn1cc(F)c2c(NCc3ccncc3)nc(Cl)nc21.OCCn1cc(F)c2c(NCc3ccncn3)nc(Cl)nc21.OCCn1ccc2c(NCc3nccs3)nc(Cl)nc21
• InChI: InChI=1S/C14H13ClFN5O.C13H12ClFN6O.C12H11ClN6.C12H12ClN5OS/c15-14-19-12(18-7-9-1-3-17-4-2-9)11-10(16)8-21(5-6-22)13(11)20-14;14-13-19-11(17-5-8-1-2-16-7-18-8)10-9(15)6-21(3-4-22)12(10)20-13;1-7-4-9-10(18-12(13)19-11(9)17-7)15-5-8-2-3-14-6-16-8;13-12-16-10(15-7-9-14-2-6-20-9)8-1-3-18(4-5-19)11(8)17-12/h1-4,8,22H,5-7H2,(H,18,19,20);1-2,6-7,22H,3-5H2,(H,17,19,20);2-4,6H,5H2,1H3,(H2,15,17,18,19);1-3,6,19H,4-5,7H2,(H,15,16,17)
• InChIKey: ZRKTVIIKQUGEDH-UHFFFAOYSA-N
• XLogP: 8.31
• TPSA: 319.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1228.97
LogP ≤ 5	8.31
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?

The IUPAC name of 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol (CID 162199783) is 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol.

What is the SMILES notation for 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?

The canonical SMILES for 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol is Cc1cc2c(NCc3ccncn3)nc(Cl)nc2[nH]1.OCCn1cc(F)c2c(NCc3ccncc3)nc(Cl)nc21.OCCn1cc(F)c2c(NCc3ccncn3)nc(Cl)nc21.OCCn1ccc2c(NCc3nccs3)nc(Cl)nc21.

What is the InChIKey of 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?

The InChIKey is ZRKTVIIKQUGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5O.C13H12ClFN6O.C12H11ClN6.C12H12ClN5OS/c15-14-19-12(18-7-9-1-3-17-4-2-9)11-10(16)8-21(5-6-22)13(11)20-14;14-13-19-11(17-5-8-1-2-16-7-18-8)10-9(15)6-21(3-4-22)12(10)20-13;1-7-4-9-10(18-12(13)19-11(9)17-7)15-5-8-2-3-14-6-16-8;13-12-16-10(15-7-9-14-2-6-20-9)8-1-3-18(4-5-19)11(8)17-12/h1-4,8,22H,5-7H2,(H,18,19,20);1-2,6-7,22H,3-5H2,(H,17,19,20);2-4,6H,5H2,1H3,(H2,15,17,18,19);1-3,6,19H,4-5,7H2,(H,15,16,17).

What are the key properties of 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol?

2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol has a molecular weight of 1228.97 g/mol, XLogP of 8.31, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-5-fluoro-4-(pyridin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-[2-chloro-5-fluoro-4-(pyrimidin-4-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol;2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-[2-chloro-4-(1,3-thiazol-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 162199783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).