1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione

C19H17N3O2 — CID 10358574

IUPAC1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(-c3cccc4ccccc34)n2C)n(C)c1=O
InChIInChI=1S/C19H17N3O2/c1-20-15(14-10-6-8-12-7-4-5-9-13(12)14)11-16-17(20)18(23)22(3)19(24)21(16)2/h4-11H,1-3H3
InChIKeyOYNAOIYNDULPHF-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.40
Rot. Bonds1

About 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione

1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 10358574) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID10358574
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(cc(-c3cccc4ccccc34)n2C)n(C)c1=O
InChIInChI=1S/C19H17N3O2/c1-20-15(14-10-6-8-12-7-4-5-9-13(12)14)11-16-17(20)18(23)22(3)19(24)21(16)2/h4-11H,1-3H3
InChIKeyOYNAOIYNDULPHF-UHFFFAOYSA-N
XLogP2.40
TPSA48.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione (CID 10358574) is 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(cc(-c3cccc4ccccc34)n2C)n(C)c1=O.
What is the InChIKey of 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is OYNAOIYNDULPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-20-15(14-10-6-8-12-7-4-5-9-13(12)14)11-16-17(20)18(23)22(3)19(24)21(16)2/h4-11H,1-3H3.
What are the key properties of 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione?
1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-naphthalen-1-ylpyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10358574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).