1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

C18H15N3O2 — CID 661179

IUPAC1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3cccc4ccccc34)cc2n(C)c1=O
InChIInChI=1S/C18H15N3O2/c1-19-16-11-21(10-14(16)17(22)20(2)18(19)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,1-2H3
InChIKeyNWPITXXIGYMABQ-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.18
Rot. Bonds1

About 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione (PubChem CID 661179) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
PubChem CID661179
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2cn(-c3cccc4ccccc34)cc2n(C)c1=O
InChIInChI=1S/C18H15N3O2/c1-19-16-11-21(10-14(16)17(22)20(2)18(19)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,1-2H3
InChIKeyNWPITXXIGYMABQ-UHFFFAOYSA-N
XLogP2.18
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione (CID 661179) is 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione is Cn1c(=O)c2cn(-c3cccc4ccccc34)cc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
The InChIKey is NWPITXXIGYMABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-19-16-11-21(10-14(16)17(22)20(2)18(19)23)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,1-2H3.
What are the key properties of 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione has a molecular weight of 305.34 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-naphthalen-1-ylpyrrolo[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 661179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).