2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C21H29N5O — CID 56883272

About 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56883272) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 56883272
• Molecular Formula: C21H29N5O
• Molecular Weight: 367.50 g/mol
• Exact Mass: 367.24
• IUPAC Name: 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
• SMILES: c1coc(C(CNc2nc(C3CCCC3)nc3c2CNC3)N2CCCC2)c1
• InChI: InChI=1S/C21H29N5O/c1-2-7-15(6-1)20-24-17-13-22-12-16(17)21(25-20)23-14-18(19-8-5-11-27-19)26-9-3-4-10-26/h5,8,11,15,18,22H,1-4,6-7,9-10,12-14H2,(H,23,24,25)
• InChIKey: QYTWJHIVXXNEOZ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 66.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.50
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56883272) is 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is c1coc(C(CNc2nc(C3CCCC3)nc3c2CNC3)N2CCCC2)c1.

What is the InChIKey of 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?

The InChIKey is QYTWJHIVXXNEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-7-15(6-1)20-24-17-13-22-12-16(17)21(25-20)23-14-18(19-8-5-11-27-19)26-9-3-4-10-26/h5,8,11,15,18,22H,1-4,6-7,9-10,12-14H2,(H,23,24,25).

What are the key properties of 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?

2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 367.50 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56883272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).