2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane

C31H52ClN7O3 — CID 162740570

About 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane

2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane (PubChem CID 162740570) has the molecular formula C31H52ClN7O3 and a molecular weight of 606.26 g/mol. Its IUPAC name is 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane.

Molecular Properties

• Compound Name: 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane
• PubChem CID: 162740570
• Molecular Formula: C31H52ClN7O3
• Molecular Weight: 606.26 g/mol
• Exact Mass: 605.38
• IUPAC Name: 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane
• SMILES: CC.COC(C)(C)C.COc1c(C)cnc(CN2CC(CCCN3CCN(CC=O)CC3)c3c(Cl)nc(N)nc32)c1C
• InChI: InChI=1S/C24H34ClN7O2.C5H12O.C2H6/c1-16-13-27-19(17(2)21(16)34-3)15-32-14-18(20-22(25)28-24(26)29-23(20)32)5-4-6-30-7-9-31(10-8-30)11-12-33;1-5(2,3)6-4;1-2/h12-13,18H,4-11,14-15H2,1-3H3,(H2,26,28,29);1-4H3;1-2H3
• InChIKey: PXTRGNNLMMBNFZ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 109.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.26
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane?

The IUPAC name of 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane (CID 162740570) is 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane.

What is the SMILES notation for 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane?

The canonical SMILES for 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane is CC.COC(C)(C)C.COc1c(C)cnc(CN2CC(CCCN3CCN(CC=O)CC3)c3c(Cl)nc(N)nc32)c1C.

What is the InChIKey of 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane?

The InChIKey is PXTRGNNLMMBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN7O2.C5H12O.C2H6/c1-16-13-27-19(17(2)21(16)34-3)15-32-14-18(20-22(25)28-24(26)29-23(20)32)5-4-6-30-7-9-31(10-8-30)11-12-33;1-5(2,3)6-4;1-2/h12-13,18H,4-11,14-15H2,1-3H3,(H2,26,28,29);1-4H3;1-2H3.

What are the key properties of 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane?

2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane has a molecular weight of 606.26 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]propyl]piperazin-1-yl]acetaldehyde;ethane;2-methoxy-2-methylpropane is sourced from PubChem (CID 162740570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).