7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione

C7H10N4O2 — CID 89239855

IUPAC7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
SMILESCC1CNC2C(=O)NC(=O)NC2=N1
InChIInChI=1S/C7H10N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h3-4,8H,2H2,1H3,(H2,9,10,11,12,13)
InChIKeyAGDGNFIKIWEYDF-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.42
Rot. Bonds

About 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione

7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione (PubChem CID 89239855) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
PubChem CID89239855
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione
SMILESCC1CNC2C(=O)NC(=O)NC2=N1
InChIInChI=1S/C7H10N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h3-4,8H,2H2,1H3,(H2,9,10,11,12,13)
InChIKeyAGDGNFIKIWEYDF-UHFFFAOYSA-N
XLogP-1.42
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
The IUPAC name of 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione (CID 89239855) is 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione.
What is the SMILES notation for 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
The canonical SMILES for 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione is CC1CNC2C(=O)NC(=O)NC2=N1.
What is the InChIKey of 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
The InChIKey is AGDGNFIKIWEYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-3-2-8-4-5(9-3)10-7(13)11-6(4)12/h3-4,8H,2H2,1H3,(H2,9,10,11,12,13).
What are the key properties of 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione?
7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -1.42, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,5,6,7-tetrahydro-1H-pteridine-2,4-dione is sourced from PubChem (CID 89239855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).