(7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C27H25N5O2 — CID 41000336

About (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

(7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 41000336) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• PubChem CID: 41000336
• Molecular Formula: C27H25N5O2
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.20
• IUPAC Name: (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• SMILES: C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1
• InChI: InChI=1S/C27H25N5O2/c1-18-15-30(21-12-4-3-5-13-21)26-28-24-23(31(26)16-18)25(33)32(27(34)29(24)2)17-20-11-8-10-19-9-6-7-14-22(19)20/h3-14,18H,15-17H2,1-2H3/t18-/m1/s1
• InChIKey: FHAFYJWZPADIMB-GOSISDBHSA-N
• XLogP: 3.89
• TPSA: 65.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 41000336) is (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

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

The canonical SMILES for (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is C[C@@H]1CN(c2ccccc2)c2nc3c(c(=O)n(Cc4cccc5ccccc45)c(=O)n3C)n2C1.

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

The InChIKey is FHAFYJWZPADIMB-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-18-15-30(21-12-4-3-5-13-21)26-28-24-23(31(26)16-18)25(33)32(27(34)29(24)2)17-20-11-8-10-19-9-6-7-14-22(19)20/h3-14,18H,15-17H2,1-2H3/t18-/m1/s1.

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

(7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 451.53 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-1,7-dimethyl-3-(naphthalen-1-ylmethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 41000336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).