1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

C20H19N3O2 — CID 10382170

IUPAC1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21
InChIInChI=1S/C20H19N3O2/c1-3-23-18-13-22(12-17(18)19(24)21(2)20(23)25)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,3,11H2,1-2H3
InChIKeyQGYZDXOVXKWSQT-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.72
Rot. Bonds3

About 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione

1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 10382170) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID10382170
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21
InChIInChI=1S/C20H19N3O2/c1-3-23-18-13-22(12-17(18)19(24)21(2)20(23)25)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,3,11H2,1-2H3
InChIKeyQGYZDXOVXKWSQT-UHFFFAOYSA-N
XLogP2.72
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione (CID 10382170) is 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is CCn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21.
What is the InChIKey of 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is QGYZDXOVXKWSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-23-18-13-22(12-17(18)19(24)21(2)20(23)25)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12-13H,3,11H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione?
1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 333.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(naphthalen-1-ylmethyl)pyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10382170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).