9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C16H15Cl2N5O2 — CID 72696144

About 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 72696144) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• PubChem CID: 72696144
• Molecular Formula: C16H15Cl2N5O2
• Molecular Weight: 380.24 g/mol
• Exact Mass: 379.06
• IUPAC Name: 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• SMILES: Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)cc(Cl)c2)n(C)c1=O
• InChI: InChI=1S/C16H15Cl2N5O2/c1-20-13-12(14(24)21(2)16(20)25)23-5-3-4-22(15(23)19-13)11-7-9(17)6-10(18)8-11/h6-8H,3-5H2,1-2H3
• InChIKey: WRPMRWOBRNCHOJ-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 65.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.24
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

The IUPAC name of 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 72696144) is 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

What is the SMILES notation for 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

The canonical SMILES for 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is Cn1c(=O)c2c(nc3n2CCCN3c2cc(Cl)cc(Cl)c2)n(C)c1=O.

What is the InChIKey of 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

The InChIKey is WRPMRWOBRNCHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-20-13-12(14(24)21(2)16(20)25)23-5-3-4-22(15(23)19-13)11-7-9(17)6-10(18)8-11/h6-8H,3-5H2,1-2H3.

What are the key properties of 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione?

9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 380.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,5-dichlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 72696144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).