1,3-dimethyl-6H-pteridine-2,4,7-trione

C8H8N4O3 — CID 134891836

IUPAC1,3-dimethyl-6H-pteridine-2,4,7-trione
SMILESCn1c(=O)c2c(n(C)c1=O)=NC(=O)CN=2
InChIInChI=1S/C8H8N4O3/c1-11-6-5(9-3-4(13)10-6)7(14)12(2)8(11)15/h3H2,1-2H3
InChIKeyKVNLASDLFPIUQE-UHFFFAOYSA-N
MW208.18 g/mol
LogP-3.14
Rot. Bonds

About 1,3-dimethyl-6H-pteridine-2,4,7-trione

1,3-dimethyl-6H-pteridine-2,4,7-trione (PubChem CID 134891836) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1,3-dimethyl-6H-pteridine-2,4,7-trione.

Molecular Properties

Compound Name1,3-dimethyl-6H-pteridine-2,4,7-trione
PubChem CID134891836
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1,3-dimethyl-6H-pteridine-2,4,7-trione
SMILESCn1c(=O)c2c(n(C)c1=O)=NC(=O)CN=2
InChIInChI=1S/C8H8N4O3/c1-11-6-5(9-3-4(13)10-6)7(14)12(2)8(11)15/h3H2,1-2H3
InChIKeyKVNLASDLFPIUQE-UHFFFAOYSA-N
XLogP-3.14
TPSA85.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1,3,7,8-tetramethyl-5H-purin-7-ium-2,6-dione
CID 71304102
2-(Dimethylamino)-3,6,7-trimethyl-6,7-dihydropteridin-4(3H)-one
CID 71410791
1,3,7,9-tetramethyl-5H-purin-9-ium-2,6,8-trione
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6H-pteridine-2,4,7-trione?
The IUPAC name of 1,3-dimethyl-6H-pteridine-2,4,7-trione (CID 134891836) is 1,3-dimethyl-6H-pteridine-2,4,7-trione.
What is the SMILES notation for 1,3-dimethyl-6H-pteridine-2,4,7-trione?
The canonical SMILES for 1,3-dimethyl-6H-pteridine-2,4,7-trione is Cn1c(=O)c2c(n(C)c1=O)=NC(=O)CN=2.
What is the InChIKey of 1,3-dimethyl-6H-pteridine-2,4,7-trione?
The InChIKey is KVNLASDLFPIUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-11-6-5(9-3-4(13)10-6)7(14)12(2)8(11)15/h3H2,1-2H3.
What are the key properties of 1,3-dimethyl-6H-pteridine-2,4,7-trione?
1,3-dimethyl-6H-pteridine-2,4,7-trione has a molecular weight of 208.18 g/mol, XLogP of -3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6H-pteridine-2,4,7-trione is sourced from PubChem (CID 134891836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).