4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C20H26N6 — CID 25164771

About 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 25164771) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
• PubChem CID: 25164771
• Molecular Formula: C20H26N6
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.22
• IUPAC Name: 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
• SMILES: CN1CCC(CCCc2cc(-c3c[nH]c4ncccc34)nc(N)n2)CC1
• InChI: InChI=1S/C20H26N6/c1-26-10-7-14(8-11-26)4-2-5-15-12-18(25-20(21)24-15)17-13-23-19-16(17)6-3-9-22-19/h3,6,9,12-14H,2,4-5,7-8,10-11H2,1H3,(H,22,23)(H2,21,24,25)
• InChIKey: LHJIUKFJUSCLSG-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 83.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?

The IUPAC name of 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 25164771) is 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

What is the SMILES notation for 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?

The canonical SMILES for 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CN1CCC(CCCc2cc(-c3c[nH]c4ncccc34)nc(N)n2)CC1.

What is the InChIKey of 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?

The InChIKey is LHJIUKFJUSCLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-26-10-7-14(8-11-26)4-2-5-15-12-18(25-20(21)24-15)17-13-23-19-16(17)6-3-9-22-19/h3,6,9,12-14H,2,4-5,7-8,10-11H2,1H3,(H,22,23)(H2,21,24,25).

What are the key properties of 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?

4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1-methylpiperidin-4-yl)propyl]-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 25164771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).