3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione

C8H8N4O3 — CID 23422192

IUPAC3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione
SMILESCC1=NC2C(=O)N(C)C(=O)N=C2NC1=O
InChIInChI=1S/C8H8N4O3/c1-3-6(13)10-5-4(9-3)7(14)12(2)8(15)11-5/h4H,1-2H3,(H,10,11,13,15)
InChIKeyPGBITUTUUZNMDX-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.06
Rot. Bonds

About 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione

3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione (PubChem CID 23422192) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione.

Molecular Properties

Compound Name3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione
PubChem CID23422192
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione
SMILESCC1=NC2C(=O)N(C)C(=O)N=C2NC1=O
InChIInChI=1S/C8H8N4O3/c1-3-6(13)10-5-4(9-3)7(14)12(2)8(15)11-5/h4H,1-2H3,(H,10,11,13,15)
InChIKeyPGBITUTUUZNMDX-UHFFFAOYSA-N
XLogP-1.06
TPSA91.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
2-amino-6,7-dimethyl-3,6,7,8-tetrahydro-2H-pteridin-4-one
CID 73164738
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
3-Methyl-2-sulfanylidene-4a,8-dihydropteridine-4,7-dione
CID 74721748
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-(dimethylamino)-6,7-dimethyl-4a,5,6,7-tetrahydro-3H-pteridin-4-one
CID 145918486
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
2,2-dimethyl-N-(5,6,7-trimethyl-4-oxo-3,4a,6,7-tetrahydropteridin-2-yl)propanamide
CID 145925495
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
2-amino-6,7-dimethyl-3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 53836789
2-amino-1,2-dimethyl-4a,7-dihydro-3H-pteridin-4-one
CID 57262440

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione?
The IUPAC name of 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione (CID 23422192) is 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione.
What is the SMILES notation for 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione?
The canonical SMILES for 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione is CC1=NC2C(=O)N(C)C(=O)N=C2NC1=O.
What is the InChIKey of 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione?
The InChIKey is PGBITUTUUZNMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-3-6(13)10-5-4(9-3)7(14)12(2)8(15)11-5/h4H,1-2H3,(H,10,11,13,15).
What are the key properties of 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione?
3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione has a molecular weight of 208.18 g/mol, XLogP of -1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4a,8-dihydropteridine-2,4,7-trione is sourced from PubChem (CID 23422192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).