8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione

C19H23N5O3 — CID 155528403

IUPAC8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCOc1cccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)c1
InChIInChI=1S/C19H23N5O3/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(12-15(24)20-17)8-7-13-5-4-6-14(11-13)27-3/h4-6,11H,7-10,12H2,1-3H3
InChIKeyAXOSOGASBYFXPZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.50
Rot. Bonds4

About 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione

8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (PubChem CID 155528403) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.

Molecular Properties

Compound Name8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
PubChem CID155528403
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
SMILESCOc1cccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)c1
InChIInChI=1S/C19H23N5O3/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(12-15(24)20-17)8-7-13-5-4-6-14(11-13)27-3/h4-6,11H,7-10,12H2,1-3H3
InChIKeyAXOSOGASBYFXPZ-UHFFFAOYSA-N
XLogP0.50
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The IUPAC name of 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione (CID 155528403) is 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione.
What is the SMILES notation for 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The canonical SMILES for 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is COc1cccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)c1.
What is the InChIKey of 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
The InChIKey is AXOSOGASBYFXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-21-17-16(18(25)22(2)19(21)26)24-10-9-23(12-15(24)20-17)8-7-13-5-4-6-14(11-13)27-3/h4-6,11H,7-10,12H2,1-3H3.
What are the key properties of 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione?
8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione has a molecular weight of 369.43 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methoxyphenyl)ethyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione is sourced from PubChem (CID 155528403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).