3-methyl-4aH-pteridine-2,4-dione

C7H6N4O2 — CID 23422139

IUPAC3-methyl-4aH-pteridine-2,4-dione
SMILESCN1C(=O)N=C2N=CC=NC2C1=O
InChIInChI=1S/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-4H,1H3
InChIKeyILXWDZXBDNGVGN-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.50
Rot. Bonds

About 3-methyl-4aH-pteridine-2,4-dione

3-methyl-4aH-pteridine-2,4-dione (PubChem CID 23422139) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-methyl-4aH-pteridine-2,4-dione.

Molecular Properties

Compound Name3-methyl-4aH-pteridine-2,4-dione
PubChem CID23422139
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name3-methyl-4aH-pteridine-2,4-dione
SMILESCN1C(=O)N=C2N=CC=NC2C1=O
InChIInChI=1S/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-4H,1H3
InChIKeyILXWDZXBDNGVGN-UHFFFAOYSA-N
XLogP-0.50
TPSA74.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pteridine-2,4(3h,4ah)-dione
CID 23422119
1,7-dimethyl-5H-purine-2,6-dione
CID 24870807
2-imino-3-methyl-4aH-pteridin-4-one
CID 425139
1,9-dimethyl-5H-purine-2,6-dione
CID 71302035
3-methyl-2-sulfanylidene-4aH-pteridin-4-one
CID 73198368
1,3,6,7-tetramethyl-4aH-pteridin-1-ium-2,4-dione
CID 78175832
6,8-dimethyl-4aH-pyrimido[5,4-e][1,2,4]triazin-8-ium-5,7-dione
CID 78176179
1,3-dimethyl-6-propyl-4aH-pteridin-1-ium-2,4-dione
CID 78207139
1,3,6-trimethyl-4aH-pteridin-1-ium-2,4-dione
CID 78207141
6-chloro-1,3-dimethyl-4aH-pteridin-1-ium-2,4-dione
CID 78207303
3,6-dimethyl-4aH-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 78408171
6-(bromomethyl)-1,3-dimethyl-4aH-pteridin-1-ium-2,4-dione
CID 78446236

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4aH-pteridine-2,4-dione?
The IUPAC name of 3-methyl-4aH-pteridine-2,4-dione (CID 23422139) is 3-methyl-4aH-pteridine-2,4-dione.
What is the SMILES notation for 3-methyl-4aH-pteridine-2,4-dione?
The canonical SMILES for 3-methyl-4aH-pteridine-2,4-dione is CN1C(=O)N=C2N=CC=NC2C1=O.
What is the InChIKey of 3-methyl-4aH-pteridine-2,4-dione?
The InChIKey is ILXWDZXBDNGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-11-6(12)4-5(10-7(11)13)9-3-2-8-4/h2-4H,1H3.
What are the key properties of 3-methyl-4aH-pteridine-2,4-dione?
3-methyl-4aH-pteridine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4aH-pteridine-2,4-dione is sourced from PubChem (CID 23422139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).