6-methyl-4a,8-dihydropteridine-4,7-dione

C7H6N4O2 — CID 23422181

IUPAC6-methyl-4a,8-dihydropteridine-4,7-dione
SMILESCC1=NC2C(=O)N=CN=C2NC1=O
InChIInChI=1S/C7H6N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2,4H,1H3,(H,8,9,11,12,13)
InChIKeyOOGNXPWFVLESOL-UHFFFAOYSA-N
MW178.15 g/mol
LogP-1.09
Rot. Bonds

About 6-methyl-4a,8-dihydropteridine-4,7-dione

6-methyl-4a,8-dihydropteridine-4,7-dione (PubChem CID 23422181) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-methyl-4a,8-dihydropteridine-4,7-dione.

Molecular Properties

Compound Name6-methyl-4a,8-dihydropteridine-4,7-dione
PubChem CID23422181
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name6-methyl-4a,8-dihydropteridine-4,7-dione
SMILESCC1=NC2C(=O)N=CN=C2NC1=O
InChIInChI=1S/C7H6N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2,4H,1H3,(H,8,9,11,12,13)
InChIKeyOOGNXPWFVLESOL-UHFFFAOYSA-N
XLogP-1.09
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Dimethylamino)-4a,8-dihydropteridine-2,7-dione
CID 145918484
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
2,8-Dihydropteridine-6,7-dione
CID 117653797
6,8-dihydro-2H-pteridin-7-one
CID 141033318
2-Amino-4-imino-6-methyl-4a,8-dihydropteridin-7-one
CID 141391537
4-Amino-2-imino-6-methyl-4a,8-dihydropteridin-7-one
CID 172768035
4a,8-Dihydropteridine-4,7-dione
CID 23422151
4a,8-Dihydropteridine-2,4,7-trione
CID 23422163
4,7-Dioxo-4a,8-dihydropteridine-6-carbaldehyde
CID 23422183
5-amino-2-methyl-1H-pyrimidine-4,6-dione
CID 73182808
5-amino-2-ethyl-1H-pyrimidine-4,6-dione
CID 76220688

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4a,8-dihydropteridine-4,7-dione?
The IUPAC name of 6-methyl-4a,8-dihydropteridine-4,7-dione (CID 23422181) is 6-methyl-4a,8-dihydropteridine-4,7-dione.
What is the SMILES notation for 6-methyl-4a,8-dihydropteridine-4,7-dione?
The canonical SMILES for 6-methyl-4a,8-dihydropteridine-4,7-dione is CC1=NC2C(=O)N=CN=C2NC1=O.
What is the InChIKey of 6-methyl-4a,8-dihydropteridine-4,7-dione?
The InChIKey is OOGNXPWFVLESOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-3-6(12)11-5-4(10-3)7(13)9-2-8-5/h2,4H,1H3,(H,8,9,11,12,13).
What are the key properties of 6-methyl-4a,8-dihydropteridine-4,7-dione?
6-methyl-4a,8-dihydropteridine-4,7-dione has a molecular weight of 178.15 g/mol, XLogP of -1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4a,8-dihydropteridine-4,7-dione is sourced from PubChem (CID 23422181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).