4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde

C7H4N4O3 — CID 23422183

IUPAC4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde
SMILESO=CC1=NC2C(=O)N=CN=C2NC1=O
InChIInChI=1S/C7H4N4O3/c12-1-3-6(13)11-5-4(10-3)7(14)9-2-8-5/h1-2,4H,(H,8,9,11,13,14)
InChIKeyCDZGPIXYRGEUBP-UHFFFAOYSA-N
MW192.13 g/mol
LogP-1.91
Rot. Bonds1

About 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde

4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde (PubChem CID 23422183) has the molecular formula C7H4N4O3 and a molecular weight of 192.13 g/mol. Its IUPAC name is 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde.

Molecular Properties

Compound Name4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde
PubChem CID23422183
Molecular FormulaC7H4N4O3
Molecular Weight192.13 g/mol
Exact Mass192.03
IUPAC Name4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde
SMILESO=CC1=NC2C(=O)N=CN=C2NC1=O
InChIInChI=1S/C7H4N4O3/c12-1-3-6(13)11-5-4(10-3)7(14)9-2-8-5/h1-2,4H,(H,8,9,11,13,14)
InChIKeyCDZGPIXYRGEUBP-UHFFFAOYSA-N
XLogP-1.91
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-oxo-4a,8a-dihydro-3H-pteridine-6-carbaldehyde
CID 10442585
4a,8-Dihydropteridine-4,7-dione
CID 23422151
6-Methyl-4a,8-dihydropteridine-4,7-dione
CID 23422181
2-Amino-4a,8-dihydropteridine-4,7-dione
CID 135755303
2-imino-4-oxo-4aH-pteridine-6-carbaldehyde
CID 156592375

Frequently Asked Questions

What is the IUPAC name of 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde?
The IUPAC name of 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde (CID 23422183) is 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde.
What is the SMILES notation for 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde?
The canonical SMILES for 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde is O=CC1=NC2C(=O)N=CN=C2NC1=O.
What is the InChIKey of 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde?
The InChIKey is CDZGPIXYRGEUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O3/c12-1-3-6(13)11-5-4(10-3)7(14)9-2-8-5/h1-2,4H,(H,8,9,11,13,14).
What are the key properties of 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde?
4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde has a molecular weight of 192.13 g/mol, XLogP of -1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dioxo-4a,8-dihydropteridine-6-carbaldehyde is sourced from PubChem (CID 23422183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).