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

C6H6N4O2 — CID 590411

IUPAC7-hydroxy-7,8-dihydro-5H-pteridin-6-one
SMILESO=C1Nc2cncnc2NC1O
InChIInChI=1S/C6H6N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2,6,12H,(H,9,11)(H,7,8,10)
InChIKeyLRFSFYZJLWZZGY-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.84
Rot. Bonds

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

7-hydroxy-7,8-dihydro-5H-pteridin-6-one (PubChem CID 590411) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 7-hydroxy-7,8-dihydro-5H-pteridin-6-one.

Molecular Properties

Compound Name7-hydroxy-7,8-dihydro-5H-pteridin-6-one
PubChem CID590411
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name7-hydroxy-7,8-dihydro-5H-pteridin-6-one
SMILESO=C1Nc2cncnc2NC1O
InChIInChI=1S/C6H6N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2,6,12H,(H,9,11)(H,7,8,10)
InChIKeyLRFSFYZJLWZZGY-UHFFFAOYSA-N
XLogP-0.84
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5,8-Dihydropteridine-6,7-dione
CID 10820906
6-Hydroxypteridine
CID 590544
7,8-dihydro-5H-pteridin-6-one
CID 591562
5,8-Dihydropteridin-7(6H)-one
CID 23422320
6-Hydroxy-5-methyl-5,8-dihydropteridin-7(6H)-one
CID 53435949
Pteridine, 5,6,7,8-tetrahydro-6,7-dihydroxy-
CID 85640302
Pyrimidine, 4-amino-5-hydroxyacetamido-
CID 129934673
pteridin-6(5H)-one, 7-hydroxy-5-methyl-
CID 130007474
6-Pteridinecarboxylic acid, 2-dimethylamino-8-ethyl-5,8-dihydro-7-hydroxy-
CID 171384038
6-Pteridinecarboxylic acid, 8-ethyl-2-ethylamino-5,8-dihydro-7-hydroxy-
CID 171384145
Pteridine, 2-ethoxycarbonyl-5,6,7,8-tetrahydro-6,7-dihydroxy-
CID 171384416
Pteridine, 6-hydroxy-7-mercapto-
CID 171384433

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-7,8-dihydro-5H-pteridin-6-one?
The IUPAC name of 7-hydroxy-7,8-dihydro-5H-pteridin-6-one (CID 590411) is 7-hydroxy-7,8-dihydro-5H-pteridin-6-one.
What is the SMILES notation for 7-hydroxy-7,8-dihydro-5H-pteridin-6-one?
The canonical SMILES for 7-hydroxy-7,8-dihydro-5H-pteridin-6-one is O=C1Nc2cncnc2NC1O.
What is the InChIKey of 7-hydroxy-7,8-dihydro-5H-pteridin-6-one?
The InChIKey is LRFSFYZJLWZZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-5-6(12)10-4-3(9-5)1-7-2-8-4/h1-2,6,12H,(H,9,11)(H,7,8,10).
What are the key properties of 7-hydroxy-7,8-dihydro-5H-pteridin-6-one?
7-hydroxy-7,8-dihydro-5H-pteridin-6-one has a molecular weight of 166.14 g/mol, XLogP of -0.84, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-7,8-dihydro-5H-pteridin-6-one is sourced from PubChem (CID 590411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).