N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide

C20H27N5O3 — CID 93134371

About N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide (PubChem CID 93134371) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
• PubChem CID: 93134371
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide
• SMILES: CCN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CC(=O)NCCN(C)C)C2=O
• InChI: InChI=1S/C20H27N5O3/c1-4-25-15-12-24(13-16(26)21-10-11-23(2)3)19(27)17(15)18(22-20(25)28)14-8-6-5-7-9-14/h5-9,18H,4,10-13H2,1-3H3,(H,21,26)(H,22,28)/t18-/m1/s1
• InChIKey: FRPOKKSALAGQMJ-GOSISDBHSA-N
• XLogP: 0.55
• TPSA: 84.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide (CID 93134371) is N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide is CCN1C(=O)N[C@H](c2ccccc2)C2=C1CN(CC(=O)NCCN(C)C)C2=O.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide?

The InChIKey is FRPOKKSALAGQMJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-25-15-12-24(13-16(26)21-10-11-23(2)3)19(27)17(15)18(22-20(25)28)14-8-6-5-7-9-14/h5-9,18H,4,10-13H2,1-3H3,(H,21,26)(H,22,28)/t18-/m1/s1.

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide?

N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[(4R)-1-ethyl-2,5-dioxo-4-phenyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 93134371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).