(7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

C19H23N5O3 — CID 7586007

About (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

(7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (PubChem CID 7586007) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• PubChem CID: 7586007
• Molecular Formula: C19H23N5O3
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.18
• IUPAC Name: (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
• SMILES: COc1ccc(C)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C
• InChI: InChI=1S/C19H23N5O3/c1-11-6-7-14(27-5)13(8-11)23-9-12(2)10-24-15-16(20-18(23)24)21(3)19(26)22(4)17(15)25/h6-8,12H,9-10H2,1-5H3/t12-/m0/s1
• InChIKey: LRSNUTKNLAXIAR-LBPRGKRZSA-N
• XLogP: 1.54
• TPSA: 74.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione (CID 7586007) is (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione.

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

The canonical SMILES for (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is COc1ccc(C)cc1N1C[C@H](C)Cn2c1nc1c2c(=O)n(C)c(=O)n1C.

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

The InChIKey is LRSNUTKNLAXIAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-6-7-14(27-5)13(8-11)23-9-12(2)10-24-15-16(20-18(23)24)21(3)19(26)22(4)17(15)25/h6-8,12H,9-10H2,1-5H3/t12-/m0/s1.

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

(7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-9-(2-methoxy-5-methylphenyl)-1,3,7-trimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione is sourced from PubChem (CID 7586007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).