3,4,6,8-tetrahydro-2H-pteridin-7-one

C6H8N4O — CID 69477152

IUPAC3,4,6,8-tetrahydro-2H-pteridin-7-one
SMILESO=C1CN=C2CNCN=C2N1
InChIInChI=1S/C6H8N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h7H,1-3H2,(H,9,10,11)
InChIKeyICRVYCIIYYZHJS-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.48
Rot. Bonds

About 3,4,6,8-tetrahydro-2H-pteridin-7-one

3,4,6,8-tetrahydro-2H-pteridin-7-one (PubChem CID 69477152) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 3,4,6,8-tetrahydro-2H-pteridin-7-one.

Molecular Properties

Compound Name3,4,6,8-tetrahydro-2H-pteridin-7-one
PubChem CID69477152
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name3,4,6,8-tetrahydro-2H-pteridin-7-one
SMILESO=C1CN=C2CNCN=C2N1
InChIInChI=1S/C6H8N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h7H,1-3H2,(H,9,10,11)
InChIKeyICRVYCIIYYZHJS-UHFFFAOYSA-N
XLogP-1.48
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,6,8-tetrahydro-2H-pteridin-7-one?
The IUPAC name of 3,4,6,8-tetrahydro-2H-pteridin-7-one (CID 69477152) is 3,4,6,8-tetrahydro-2H-pteridin-7-one.
What is the SMILES notation for 3,4,6,8-tetrahydro-2H-pteridin-7-one?
The canonical SMILES for 3,4,6,8-tetrahydro-2H-pteridin-7-one is O=C1CN=C2CNCN=C2N1.
What is the InChIKey of 3,4,6,8-tetrahydro-2H-pteridin-7-one?
The InChIKey is ICRVYCIIYYZHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h7H,1-3H2,(H,9,10,11).
What are the key properties of 3,4,6,8-tetrahydro-2H-pteridin-7-one?
3,4,6,8-tetrahydro-2H-pteridin-7-one has a molecular weight of 152.16 g/mol, XLogP of -1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,8-tetrahydro-2H-pteridin-7-one is sourced from PubChem (CID 69477152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).