(7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C24H24FN5O2 — CID 40929510

About (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

(7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 40929510) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• PubChem CID: 40929510
• Molecular Formula: C24H24FN5O2
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.19
• IUPAC Name: (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• SMILES: Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1
• InChI: InChI=1S/C24H24FN5O2/c1-15-5-4-6-19(11-15)28-12-16(2)13-29-20-21(26-23(28)29)27(3)24(32)30(22(20)31)14-17-7-9-18(25)10-8-17/h4-11,16H,12-14H2,1-3H3/t16-/m1/s1
• InChIKey: GMSSWLIVZKYWKD-MRXNPFEDSA-N
• XLogP: 3.18
• TPSA: 65.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 40929510) is (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

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

The canonical SMILES for (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is Cc1cccc(N2C[C@@H](C)Cn3c2nc2c3c(=O)n(Cc3ccc(F)cc3)c(=O)n2C)c1.

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

The InChIKey is GMSSWLIVZKYWKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-15-5-4-6-19(11-15)28-12-16(2)13-29-20-21(26-23(28)29)27(3)24(32)30(22(20)31)14-17-7-9-18(25)10-8-17/h4-11,16H,12-14H2,1-3H3/t16-/m1/s1.

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

(7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 433.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-[(4-fluorophenyl)methyl]-1,7-dimethyl-9-(3-methylphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 40929510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).