1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione

C20H20N6O3 — CID 155559219

IUPAC1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(Cc2nocc2-c2ccccc2)C3)n(C)c1=O
InChIInChI=1S/C20H20N6O3/c1-23-18-17(19(27)24(2)20(23)28)26-9-8-25(11-16(26)21-18)10-15-14(12-29-22-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyFNYUIIOBZLKBHI-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.10
Rot. Bonds3

About 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione

1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (PubChem CID 155559219) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
PubChem CID155559219
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCn1c(=O)c2c(nc3n2CCN(Cc2nocc2-c2ccccc2)C3)n(C)c1=O
InChIInChI=1S/C20H20N6O3/c1-23-18-17(19(27)24(2)20(23)28)26-9-8-25(11-16(26)21-18)10-15-14(12-29-22-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyFNYUIIOBZLKBHI-UHFFFAOYSA-N
XLogP1.10
TPSA91.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (CID 155559219) is 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is Cn1c(=O)c2c(nc3n2CCN(Cc2nocc2-c2ccccc2)C3)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The InChIKey is FNYUIIOBZLKBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-23-18-17(19(27)24(2)20(23)28)26-9-8-25(11-16(26)21-18)10-15-14(12-29-22-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione has a molecular weight of 392.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is sourced from PubChem (CID 155559219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).