ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate

C15H24N6O2S — CID 16902234

About ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate

ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate (PubChem CID 16902234) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate
• PubChem CID: 16902234
• Molecular Formula: C15H24N6O2S
• Molecular Weight: 352.46 g/mol
• Exact Mass: 352.17
• IUPAC Name: ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate
• SMILES: CCOC(=O)NCCn1ncc2c(NC(C)C)nc(SCC)nc21
• InChI: InChI=1S/C15H24N6O2S/c1-5-23-15(22)16-7-8-21-13-11(9-17-21)12(18-10(3)4)19-14(20-13)24-6-2/h9-10H,5-8H2,1-4H3,(H,16,22)(H,18,19,20)
• InChIKey: GALAKCPBLRNBRV-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.46
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?

The IUPAC name of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate (CID 16902234) is ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate.

What is the SMILES notation for ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?

The canonical SMILES for ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate is CCOC(=O)NCCn1ncc2c(NC(C)C)nc(SCC)nc21.

What is the InChIKey of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?

The InChIKey is GALAKCPBLRNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-5-23-15(22)16-7-8-21-13-11(9-17-21)12(18-10(3)4)19-14(20-13)24-6-2/h9-10H,5-8H2,1-4H3,(H,16,22)(H,18,19,20).

What are the key properties of ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate?

ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate has a molecular weight of 352.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 16902234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).