2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide

C18H20N6O3 — CID 3162475

About 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide

2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide (PubChem CID 3162475) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
• PubChem CID: 3162475
• Molecular Formula: C18H20N6O3
• Molecular Weight: 368.40 g/mol
• Exact Mass: 368.16
• IUPAC Name: 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide
• SMILES: CC1CN(c2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1
• InChI: InChI=1S/C18H20N6O3/c1-11-8-22(12-6-4-3-5-7-12)17-20-15-14(23(17)9-11)16(26)24(10-13(19)25)18(27)21(15)2/h3-7,11H,8-10H2,1-2H3,(H2,19,25)
• InChIKey: KRSRDTMBYSKBOK-UHFFFAOYSA-N
• XLogP: 0.17
• TPSA: 108.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.40
LogP ≤ 5	0.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

The IUPAC name of 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide (CID 3162475) is 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide.

What is the SMILES notation for 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

The canonical SMILES for 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide is CC1CN(c2ccccc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1.

What is the InChIKey of 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

The InChIKey is KRSRDTMBYSKBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11-8-22(12-6-4-3-5-7-12)17-20-15-14(23(17)9-11)16(26)24(10-13(19)25)18(27)21(15)2/h3-7,11H,8-10H2,1-2H3,(H2,19,25).

What are the key properties of 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide?

2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide has a molecular weight of 368.40 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,7-dimethyl-2,4-dioxo-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 3162475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).