2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one

C20H16N8O — CID 58119648

IUPAC2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCC(c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C20H16N8O/c1-12(27-11-25-16-17(21)23-10-24-19(16)27)18-26-14-8-5-9-22-15(14)20(29)28(18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,23,24)
InChIKeyVUQMYUUPDWGKJJ-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.11
Rot. Bonds3

About 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one

2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 58119648) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID58119648
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCC(c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21
InChIInChI=1S/C20H16N8O/c1-12(27-11-25-16-17(21)23-10-24-19(16)27)18-26-14-8-5-9-22-15(14)20(29)28(18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,23,24)
InChIKeyVUQMYUUPDWGKJJ-UHFFFAOYSA-N
XLogP2.11
TPSA117.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one (CID 58119648) is 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one is CC(c1nc2cccnc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc21.
What is the InChIKey of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is VUQMYUUPDWGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-12(27-11-25-16-17(21)23-10-24-19(16)27)18-26-14-8-5-9-22-15(14)20(29)28(18)13-6-3-2-4-7-13/h2-12H,1H3,(H2,21,23,24).
What are the key properties of 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one?
2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 384.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 58119648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).