3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone

C7H6N4O4 — CID 23422170

IUPAC3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone
SMILESCN1C(=O)N=C2NC(=O)C(=O)NC2C1=O
InChIInChI=1S/C7H6N4O4/c1-11-6(14)2-3(10-7(11)15)9-5(13)4(12)8-2/h2H,1H3,(H,8,12)(H,9,10,13,15)
InChIKeyQMRAOUHRRGUKGD-UHFFFAOYSA-N
MW210.15 g/mol
LogP-2.41
Rot. Bonds

About 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone

3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone (PubChem CID 23422170) has the molecular formula C7H6N4O4 and a molecular weight of 210.15 g/mol. Its IUPAC name is 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone.

Molecular Properties

Compound Name3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone
PubChem CID23422170
Molecular FormulaC7H6N4O4
Molecular Weight210.15 g/mol
Exact Mass210.04
IUPAC Name3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone
SMILESCN1C(=O)N=C2NC(=O)C(=O)NC2C1=O
InChIInChI=1S/C7H6N4O4/c1-11-6(14)2-3(10-7(11)15)9-5(13)4(12)8-2/h2H,1H3,(H,8,12)(H,9,10,13,15)
InChIKeyQMRAOUHRRGUKGD-UHFFFAOYSA-N
XLogP-2.41
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 5-2.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
(2S)-2-[3-methyl-1-[2-(methylamino)-2-oxoethyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269379
2-Imino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 137630723
5,7-dihydro-1H-purine-2,6,8(9H)-trione
CID 24771781
(6R)-2-amino-6-(aminomethyl)-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 124222454
(6R)-2-amino-6-methyl-4-oxo-1,2,3,4a,6,7-hexahydropteridine-5-carbaldehyde
CID 135393520
2-Amino-6,8-dimethyl-4a,5,6,7-tetrahydropteridin-4-one
CID 73346152
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
8,9-dimethyl-4,5-dihydro-3H-purine-2,6-dione
CID 58099827
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 89239855

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone?
The IUPAC name of 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone (CID 23422170) is 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone.
What is the SMILES notation for 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone?
The canonical SMILES for 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone is CN1C(=O)N=C2NC(=O)C(=O)NC2C1=O.
What is the InChIKey of 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone?
The InChIKey is QMRAOUHRRGUKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O4/c1-11-6(14)2-3(10-7(11)15)9-5(13)4(12)8-2/h2H,1H3,(H,8,12)(H,9,10,13,15).
What are the key properties of 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone?
3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone has a molecular weight of 210.15 g/mol, XLogP of -2.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone is sourced from PubChem (CID 23422170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).