2,8-dihydro-1H-pteridin-7-one

C6H6N4O — CID 91101879

IUPAC2,8-dihydro-1H-pteridin-7-one
SMILESO=c1cnc2c([nH]1)NCN=C2
InChIInChI=1S/C6H6N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1-2H,3H2,(H2,9,10,11)
InChIKeyYQBOBCIESHXDHF-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.43
Rot. Bonds

About 2,8-dihydro-1H-pteridin-7-one

2,8-dihydro-1H-pteridin-7-one (PubChem CID 91101879) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2,8-dihydro-1H-pteridin-7-one.

Molecular Properties

Compound Name2,8-dihydro-1H-pteridin-7-one
PubChem CID91101879
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2,8-dihydro-1H-pteridin-7-one
SMILESO=c1cnc2c([nH]1)NCN=C2
InChIInChI=1S/C6H6N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1-2H,3H2,(H2,9,10,11)
InChIKeyYQBOBCIESHXDHF-UHFFFAOYSA-N
XLogP-0.43
TPSA70.14 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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,7(1H,8H)-Pteridinedione
CID 596180
1,5,7,8-Tetrahydro-2,6-pteridinedione
CID 597194
2,6-Dioxy-pteridin
CID 23422141
Pteridine, 7,8-dihydro-2-hydroxy-
CID 23422325
5,6,7,8-Tetrahydropteridin-2(1H)-one
CID 23422336
pteridine-2,7(1H,3H)-dione, 5,6-dihydro-
CID 171383936
5,6-dihydro-1H-pteridin-2-one
CID 54006965
5-Hydroxydihydroimidazopyrimidine
CID 56628303
2,5-dihydro-1H-pteridin-6-one
CID 66712847
2,3,4,8-tetrahydro-1H-pteridin-7-one
CID 69477149
2,5,7,8-tetrahydro-1H-pteridin-6-one
CID 118607942
N-(5-amino-2-oxo-1H-pyrimidin-6-yl)acetamide
CID 177745801

Frequently Asked Questions

What is the IUPAC name of 2,8-dihydro-1H-pteridin-7-one?
The IUPAC name of 2,8-dihydro-1H-pteridin-7-one (CID 91101879) is 2,8-dihydro-1H-pteridin-7-one.
What is the SMILES notation for 2,8-dihydro-1H-pteridin-7-one?
The canonical SMILES for 2,8-dihydro-1H-pteridin-7-one is O=c1cnc2c([nH]1)NCN=C2.
What is the InChIKey of 2,8-dihydro-1H-pteridin-7-one?
The InChIKey is YQBOBCIESHXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1-2H,3H2,(H2,9,10,11).
What are the key properties of 2,8-dihydro-1H-pteridin-7-one?
2,8-dihydro-1H-pteridin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dihydro-1H-pteridin-7-one is sourced from PubChem (CID 91101879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).