N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C18H19N5S — CID 56908265

About N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56908265) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 56908265
• Molecular Formula: C18H19N5S
• Molecular Weight: 337.45 g/mol
• Exact Mass: 337.14
• IUPAC Name: N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1ccsc1CCNc1nc(-c2cccnc2)nc2c1CNC2
• InChI: InChI=1S/C18H19N5S/c1-12-5-8-24-16(12)4-7-21-18-14-10-20-11-15(14)22-17(23-18)13-3-2-6-19-9-13/h2-3,5-6,8-9,20H,4,7,10-11H2,1H3,(H,21,22,23)
• InChIKey: FGHHGZQAWNNZAD-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 62.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.45
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56908265) is N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

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

The canonical SMILES for N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Cc1ccsc1CCNc1nc(-c2cccnc2)nc2c1CNC2.

What is the InChIKey of N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FGHHGZQAWNNZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-12-5-8-24-16(12)4-7-21-18-14-10-20-11-15(14)22-17(23-18)13-3-2-6-19-9-13/h2-3,5-6,8-9,20H,4,7,10-11H2,1H3,(H,21,22,23).

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

N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56908265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).