7-methyl-4a,5-dihydropteridine-2,4,6-trione

C7H6N4O3 — CID 91731837

IUPAC7-methyl-4a,5-dihydropteridine-2,4,6-trione
SMILESCC1=NC2=NC(=O)NC(=O)C2NC1=O
InChIInChI=1S/C7H6N4O3/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h3H,1H3,(H,9,12)(H,11,13,14)
InChIKeyPZGXNGZKGYATDW-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.41
Rot. Bonds

About 7-methyl-4a,5-dihydropteridine-2,4,6-trione

7-methyl-4a,5-dihydropteridine-2,4,6-trione (PubChem CID 91731837) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 7-methyl-4a,5-dihydropteridine-2,4,6-trione.

Molecular Properties

Compound Name7-methyl-4a,5-dihydropteridine-2,4,6-trione
PubChem CID91731837
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name7-methyl-4a,5-dihydropteridine-2,4,6-trione
SMILESCC1=NC2=NC(=O)NC(=O)C2NC1=O
InChIInChI=1S/C7H6N4O3/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h3H,1H3,(H,9,12)(H,11,13,14)
InChIKeyPZGXNGZKGYATDW-UHFFFAOYSA-N
XLogP-1.41
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-Dihydroxanthopterin
CID 136648281
Pteridine-2,4(3h,4ah)-dione
CID 23422119
6-Methyl-2-methylimino-4a,8-dihydropteridine-4,7-dione
CID 145918485
2-amino-6,7-dimethyl-3,4a,7,8-tetrahydro-2H-pteridin-4-one
CID 53836789
N-(2,4-diamino-6-oxo-2,5-dihydro-1H-pyrimidin-5-yl)formamide
CID 56616942
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 89239855
4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 129632103
N-(4-amino-1-methyl-2,6-dioxo-5H-pyrimidin-5-yl)acetamide
CID 10307934
7-Methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione
CID 22294407
2-Amino-4a,5-dihydropteridine-4,6-dione
CID 23422048
3-methyl-5,8-dihydro-4aH-pteridine-2,4,6,7-tetrone
CID 23422170

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,5-dihydropteridine-2,4,6-trione?
The IUPAC name of 7-methyl-4a,5-dihydropteridine-2,4,6-trione (CID 91731837) is 7-methyl-4a,5-dihydropteridine-2,4,6-trione.
What is the SMILES notation for 7-methyl-4a,5-dihydropteridine-2,4,6-trione?
The canonical SMILES for 7-methyl-4a,5-dihydropteridine-2,4,6-trione is CC1=NC2=NC(=O)NC(=O)C2NC1=O.
What is the InChIKey of 7-methyl-4a,5-dihydropteridine-2,4,6-trione?
The InChIKey is PZGXNGZKGYATDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h3H,1H3,(H,9,12)(H,11,13,14).
What are the key properties of 7-methyl-4a,5-dihydropteridine-2,4,6-trione?
7-methyl-4a,5-dihydropteridine-2,4,6-trione has a molecular weight of 194.15 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,5-dihydropteridine-2,4,6-trione is sourced from PubChem (CID 91731837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).