7,8-dihydro-5H-pteridin-6-one

C6H6N4O — CID 591562

IUPAC7,8-dihydro-5H-pteridin-6-one
SMILESO=C1CNc2ncncc2N1
InChIInChI=1S/C6H6N4O/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1,3H,2H2,(H,10,11)(H,7,8,9)
InChIKeyUGYZVBUANICGLW-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.16
Rot. Bonds

About 7,8-dihydro-5H-pteridin-6-one

7,8-dihydro-5H-pteridin-6-one (PubChem CID 591562) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7,8-dihydro-5H-pteridin-6-one
PubChem CID591562
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name7,8-dihydro-5H-pteridin-6-one
SMILESO=C1CNc2ncncc2N1
InChIInChI=1S/C6H6N4O/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1,3H,2H2,(H,10,11)(H,7,8,9)
InChIKeyUGYZVBUANICGLW-UHFFFAOYSA-N
XLogP-0.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7,8-dihydro-5H-pteridin-6-one (CID 591562) is 7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7,8-dihydro-5H-pteridin-6-one is O=C1CNc2ncncc2N1.
What is the InChIKey of 7,8-dihydro-5H-pteridin-6-one?
The InChIKey is UGYZVBUANICGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1,3H,2H2,(H,10,11)(H,7,8,9).
What are the key properties of 7,8-dihydro-5H-pteridin-6-one?
7,8-dihydro-5H-pteridin-6-one has a molecular weight of 150.14 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 591562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).