7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione

C7H8N4O3 — CID 22294407

IUPAC7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione
SMILESCC1=NC2NC(=O)NC(=O)C2NC1=O
InChIInChI=1S/C7H8N4O3/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h3-4H,1H3,(H,9,12)(H2,10,11,13,14)
InChIKeyKGQFLBGORBZGCE-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.89
Rot. Bonds

About 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione

7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione (PubChem CID 22294407) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione.

Molecular Properties

Compound Name7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione
PubChem CID22294407
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione
SMILESCC1=NC2NC(=O)NC(=O)C2NC1=O
InChIInChI=1S/C7H8N4O3/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h3-4H,1H3,(H,9,12)(H2,10,11,13,14)
InChIKeyKGQFLBGORBZGCE-UHFFFAOYSA-N
XLogP-1.89
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-4a,5,6,7,8,8a-hexahydro-1H-pteridine-2,4-dione
CID 279241
2,4,6(3H)-Pteridinetrione, 1,4a,5,8a-tetrahydro-7-methyl-
CID 91731837
(2,4-Dioxo-hexahydro-pyrimidin-5-yl)-urea
CID 12202209
1-Methyl-4a,8a-dihydropteridine-2,4-dione
CID 23422122
6-Amino-1-methyl-5-(methylamino)-1,3-diazinane-2,4-dione
CID 45038142
4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione
CID 67557157
6-methyl-4a,5,6,8a-tetrahydro-1H-pteridine-2,4-dione
CID 67752142
N-(methylcarbamoyl)piperazine-2-carboxamide
CID 70071531
1-Methyl-4a,5,6,8a-tetrahydropteridine-2,4-dione
CID 70269970
1-Methyl-2,4-dioxotetrahydropteridine
CID 70269971
6-Amino-5-ethylamino-1-methyluracil
CID 72738027
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
CID 89239855

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione?
The IUPAC name of 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione (CID 22294407) is 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione.
What is the SMILES notation for 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione?
The canonical SMILES for 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione is CC1=NC2NC(=O)NC(=O)C2NC1=O.
What is the InChIKey of 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione?
The InChIKey is KGQFLBGORBZGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c1-2-5(12)9-3-4(8-2)10-7(14)11-6(3)13/h3-4H,1H3,(H,9,12)(H2,10,11,13,14).
What are the key properties of 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione?
7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione has a molecular weight of 196.17 g/mol, XLogP of -1.89, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4a,5,8a-tetrahydropteridine-2,4,6-trione is sourced from PubChem (CID 22294407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).