2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

C68H80Cl4IN21O5 — CID 158786711

About 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 158786711) has the molecular formula C68H80Cl4IN21O5 and a molecular weight of 1540.25 g/mol. Its IUPAC name is 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 158786711
• Molecular Formula: C68H80Cl4IN21O5
• Molecular Weight: 1540.25 g/mol
• Exact Mass: 1537.45
• IUPAC Name: 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: COc1c(C)cnc(Cn2cc(CCNCC(C)C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(Cn2cc(CCO)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(Cn2cc(Cl)c3cnc(N)nc32)c1C.COc1c(C)cnc(Cn2cc(I)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C21H29ClN6O.C17H20ClN5O2.C15H15ClIN5O.C15H16ClN5O/c1-12(2)8-24-7-6-15-10-28(20-17(15)19(22)26-21(23)27-20)11-16-14(4)18(29-5)13(3)9-25-16;1-9-6-20-12(10(2)14(9)25-3)8-23-7-11(4-5-24)13-15(18)21-17(19)22-16(13)23;1-7-4-19-10(8(2)12(7)23-3)6-22-5-9(17)11-13(16)20-15(18)21-14(11)22;1-8-4-18-12(9(2)13(8)22-3)7-21-6-11(16)10-5-19-15(17)20-14(10)21/h9-10,12,24H,6-8,11H2,1-5H3,(H2,23,26,27);6-7,24H,4-5,8H2,1-3H3,(H2,19,21,22);4-5H,6H2,1-3H3,(H2,18,20,21);4-6H,7H2,1-3H3,(H2,17,19,20)
• InChIKey: IRTRZADRSBINBJ-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 347.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1540.25
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine (CID 158786711) is 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is COc1c(C)cnc(Cn2cc(CCNCC(C)C)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(Cn2cc(CCO)c3c(Cl)nc(N)nc32)c1C.COc1c(C)cnc(Cn2cc(Cl)c3cnc(N)nc32)c1C.COc1c(C)cnc(Cn2cc(I)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is IRTRZADRSBINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN6O.C17H20ClN5O2.C15H15ClIN5O.C15H16ClN5O/c1-12(2)8-24-7-6-15-10-28(20-17(15)19(22)26-21(23)27-20)11-16-14(4)18(29-5)13(3)9-25-16;1-9-6-20-12(10(2)14(9)25-3)8-23-7-11(4-5-24)13-15(18)21-17(19)22-16(13)23;1-7-4-19-10(8(2)12(7)23-3)6-22-5-9(17)11-13(16)20-15(18)21-14(11)22;1-8-4-18-12(9(2)13(8)22-3)7-21-6-11(16)10-5-19-15(17)20-14(10)21/h9-10,12,24H,6-8,11H2,1-5H3,(H2,23,26,27);6-7,24H,4-5,8H2,1-3H3,(H2,19,21,22);4-5H,6H2,1-3H3,(H2,18,20,21);4-6H,7H2,1-3H3,(H2,17,19,20).

What are the key properties of 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine?

2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 1540.25 g/mol, XLogP of 11.87, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-5-yl]ethanol;4-chloro-5-iodo-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine;4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-[2-(2-methylpropylamino)ethyl]pyrrolo[2,3-d]pyrimidin-2-amine;5-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 158786711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).