4aH-pteridine-2,4-dione

C6H4N4O2 — CID 23422119

IUPAC4aH-pteridine-2,4-dione
SMILESO=C1N=C2N=CC=NC2C(=O)N1
InChIInChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-3H,(H,10,11,12)
InChIKeyQFHCUBWSAYWACR-UHFFFAOYSA-N
MW164.12 g/mol
LogP-0.84
Rot. Bonds

About 4aH-pteridine-2,4-dione

4aH-pteridine-2,4-dione (PubChem CID 23422119) has the molecular formula C6H4N4O2 and a molecular weight of 164.12 g/mol. Its IUPAC name is 4aH-pteridine-2,4-dione.

Molecular Properties

Compound Name4aH-pteridine-2,4-dione
PubChem CID23422119
Molecular FormulaC6H4N4O2
Molecular Weight164.12 g/mol
Exact Mass164.03
IUPAC Name4aH-pteridine-2,4-dione
SMILESO=C1N=C2N=CC=NC2C(=O)N1
InChIInChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-3H,(H,10,11,12)
InChIKeyQFHCUBWSAYWACR-UHFFFAOYSA-N
XLogP-0.84
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4aH-pteridine-2,4-dione?
The IUPAC name of 4aH-pteridine-2,4-dione (CID 23422119) is 4aH-pteridine-2,4-dione.
What is the SMILES notation for 4aH-pteridine-2,4-dione?
The canonical SMILES for 4aH-pteridine-2,4-dione is O=C1N=C2N=CC=NC2C(=O)N1.
What is the InChIKey of 4aH-pteridine-2,4-dione?
The InChIKey is QFHCUBWSAYWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-3H,(H,10,11,12).
What are the key properties of 4aH-pteridine-2,4-dione?
4aH-pteridine-2,4-dione has a molecular weight of 164.12 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-pteridine-2,4-dione is sourced from PubChem (CID 23422119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).