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

C19H24N6OS — CID 16901014

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

N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide (PubChem CID 16901014) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide
• PubChem CID: 16901014
• Molecular Formula: C19H24N6OS
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.17
• IUPAC Name: N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide
• SMILES: CSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3ccccc3)c2n1
• InChI: InChI=1S/C19H24N6OS/c1-13(2)22-17-15-12-21-25(18(15)24-19(23-17)27-3)10-9-20-16(26)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,20,26)(H,22,23,24)
• InChIKey: TUMFMVCKFGHZQV-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide (CID 16901014) is N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide.

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

The canonical SMILES for N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide is CSc1nc(NC(C)C)c2cnn(CCNC(=O)Cc3ccccc3)c2n1.

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

The InChIKey is TUMFMVCKFGHZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-13(2)22-17-15-12-21-25(18(15)24-19(23-17)27-3)10-9-20-16(26)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,20,26)(H,22,23,24).

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

N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide has a molecular weight of 384.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-methylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-phenylacetamide is sourced from PubChem (CID 16901014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).