2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol

C18H22N6O — CID 75090822

About 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol

2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 75090822) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
• PubChem CID: 75090822
• Molecular Formula: C18H22N6O
• Molecular Weight: 338.42 g/mol
• Exact Mass: 338.19
• IUPAC Name: 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol
• SMILES: CC(C)(O)C1CCCN1c1ccnc2[nH]cc(-c3ccnc(N)n3)c12
• InChI: InChI=1S/C18H22N6O/c1-18(2,25)14-4-3-9-24(14)13-6-8-20-16-15(13)11(10-22-16)12-5-7-21-17(19)23-12/h5-8,10,14,25H,3-4,9H2,1-2H3,(H,20,22)(H2,19,21,23)
• InChIKey: GUQVHBKMSHAFMZ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.42
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?

The IUPAC name of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol (CID 75090822) is 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol.

What is the SMILES notation for 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?

The canonical SMILES for 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol is CC(C)(O)C1CCCN1c1ccnc2[nH]cc(-c3ccnc(N)n3)c12.

What is the InChIKey of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?

The InChIKey is GUQVHBKMSHAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-18(2,25)14-4-3-9-24(14)13-6-8-20-16-15(13)11(10-22-16)12-5-7-21-17(19)23-12/h5-8,10,14,25H,3-4,9H2,1-2H3,(H,20,22)(H2,19,21,23).

What are the key properties of 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol?

2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 338.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 75090822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).