8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

C25H28N4O3 — CID 3073693

IUPAC8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
SMILESCCCn1c(=O)c2c(nc(C=Cc3ccc(OC)c4ccccc34)n2C)n(CCC)c1=O
InChIInChI=1S/C25H28N4O3/c1-5-15-28-23-22(24(30)29(16-6-2)25(28)31)27(3)21(26-23)14-12-17-11-13-20(32-4)19-10-8-7-9-18(17)19/h7-14H,5-6,15-16H2,1-4H3
InChIKeyVJMCJAORZNGBHE-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.05
Rot. Bonds7

About 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione

8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (PubChem CID 3073693) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione.

Molecular Properties

Compound Name8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
PubChem CID3073693
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
SMILESCCCn1c(=O)c2c(nc(C=Cc3ccc(OC)c4ccccc34)n2C)n(CCC)c1=O
InChIInChI=1S/C25H28N4O3/c1-5-15-28-23-22(24(30)29(16-6-2)25(28)31)27(3)21(26-23)14-12-17-11-13-20(32-4)19-10-8-7-9-18(17)19/h7-14H,5-6,15-16H2,1-4H3
InChIKeyVJMCJAORZNGBHE-UHFFFAOYSA-N
XLogP4.05
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?
The IUPAC name of 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (CID 3073693) is 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione.
What is the SMILES notation for 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?
The canonical SMILES for 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is CCCn1c(=O)c2c(nc(C=Cc3ccc(OC)c4ccccc34)n2C)n(CCC)c1=O.
What is the InChIKey of 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?
The InChIKey is VJMCJAORZNGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-5-15-28-23-22(24(30)29(16-6-2)25(28)31)27(3)21(26-23)14-12-17-11-13-20(32-4)19-10-8-7-9-18(17)19/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione?
8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione has a molecular weight of 432.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is sourced from PubChem (CID 3073693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).