1,3-dimethyl-5H-pteridine-2,4,6-trione

C8H8N4O3 — CID 4180446

IUPAC1,3-dimethyl-5H-pteridine-2,4,6-trione
SMILESCn1c(=O)c2[nH]c(=O)cnc2n(C)c1=O
InChIInChI=1S/C8H8N4O3/c1-11-6-5(10-4(13)3-9-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,10,13)
InChIKeyNBBRNFADTQJWFX-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.68
Rot. Bonds

About 1,3-dimethyl-5H-pteridine-2,4,6-trione

1,3-dimethyl-5H-pteridine-2,4,6-trione (PubChem CID 4180446) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1,3-dimethyl-5H-pteridine-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5H-pteridine-2,4,6-trione
PubChem CID4180446
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1,3-dimethyl-5H-pteridine-2,4,6-trione
SMILESCn1c(=O)c2[nH]c(=O)cnc2n(C)c1=O
InChIInChI=1S/C8H8N4O3/c1-11-6-5(10-4(13)3-9-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,10,13)
InChIKeyNBBRNFADTQJWFX-UHFFFAOYSA-N
XLogP-1.68
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5H-pteridine-2,4,6-trione 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 1,3-dimethyl-5H-pteridine-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5H-pteridine-2,4,6-trione (CID 4180446) is 1,3-dimethyl-5H-pteridine-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5H-pteridine-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5H-pteridine-2,4,6-trione is Cn1c(=O)c2[nH]c(=O)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5H-pteridine-2,4,6-trione?
The InChIKey is NBBRNFADTQJWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-11-6-5(10-4(13)3-9-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,10,13).
What are the key properties of 1,3-dimethyl-5H-pteridine-2,4,6-trione?
1,3-dimethyl-5H-pteridine-2,4,6-trione has a molecular weight of 208.18 g/mol, XLogP of -1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5H-pteridine-2,4,6-trione is sourced from PubChem (CID 4180446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).