4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

C21H21N7 — CID 70756319

About 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70756319) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

• Compound Name: 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• PubChem CID: 70756319
• Molecular Formula: C21H21N7
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.19
• IUPAC Name: 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
• SMILES: CNc1nc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)nc2c1CCC2
• InChI: InChI=1S/C21H21N7/c1-22-19-15-5-2-6-17(15)26-21(28-19)16-10-18(27-20-14(16)7-9-24-20)25-12-13-4-3-8-23-11-13/h3-4,7-11H,2,5-6,12H2,1H3,(H,22,26,28)(H2,24,25,27)
• InChIKey: JRRUKOLSIUKHML-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 91.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The IUPAC name of 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70756319) is 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine.

What is the SMILES notation for 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The canonical SMILES for 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1nc(-c2cc(NCc3cccnc3)nc3[nH]ccc23)nc2c1CCC2.

What is the InChIKey of 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

The InChIKey is JRRUKOLSIUKHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-22-19-15-5-2-6-17(15)26-21(28-19)16-10-18(27-20-14(16)7-9-24-20)25-12-13-4-3-8-23-11-13/h3-4,7-11H,2,5-6,12H2,1H3,(H,22,26,28)(H2,24,25,27).

What are the key properties of 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine?

4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 371.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70756319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).