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

C6H6N4O — CID 23422325

IUPAC7,8-dihydro-1H-pteridin-2-one
SMILESO=c1ncc2c([nH]1)NCC=N2
InChIInChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1,3H,2H2,(H2,8,9,10,11)
InChIKeyNYULESZISGVPJK-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.10
Rot. Bonds

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

7,8-dihydro-1H-pteridin-2-one (PubChem CID 23422325) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 7,8-dihydro-1H-pteridin-2-one.

Molecular Properties

Compound Name7,8-dihydro-1H-pteridin-2-one
PubChem CID23422325
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name7,8-dihydro-1H-pteridin-2-one
SMILESO=c1ncc2c([nH]1)NCC=N2
InChIInChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1,3H,2H2,(H2,8,9,10,11)
InChIKeyNYULESZISGVPJK-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,7(1H,8H)-Pteridinedione
CID 596180
6-Methyl-7,8-dihydro-2(1H)-pteridinone
CID 596409
5,6,7,8-Tetrahydropteridin-2(1H)-one
CID 23422336
5,6-dihydro-1H-pteridin-2-one
CID 54006965
5-Hydroxydihydroimidazopyrimidine
CID 56628303
5-amino-6-(methylamino)-1H-pyrimidin-2-one;hydrochloride
CID 24199631
5-amino-6-(methylamino)-1H-pyrimidin-2-one
CID 433801
4-Amino-5-(methylamino)pyrimidin-2-ol
CID 19842464
5,8-dihydro-1H-pteridin-2-one
CID 22103330
5-Amino-6-(isopropylamino)pyrimidin-2(1H)-one
CID 45117334
2,8-dihydro-1H-pteridin-7-one
CID 91101879
2,3,7,9-Tetrahydropurin-8-one
CID 145783541

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-1H-pteridin-2-one?
The IUPAC name of 7,8-dihydro-1H-pteridin-2-one (CID 23422325) is 7,8-dihydro-1H-pteridin-2-one.
What is the SMILES notation for 7,8-dihydro-1H-pteridin-2-one?
The canonical SMILES for 7,8-dihydro-1H-pteridin-2-one is O=c1ncc2c([nH]1)NCC=N2.
What is the InChIKey of 7,8-dihydro-1H-pteridin-2-one?
The InChIKey is NYULESZISGVPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-9-3-4-5(10-6)8-2-1-7-4/h1,3H,2H2,(H2,8,9,10,11).
What are the key properties of 7,8-dihydro-1H-pteridin-2-one?
7,8-dihydro-1H-pteridin-2-one has a molecular weight of 150.14 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-1H-pteridin-2-one is sourced from PubChem (CID 23422325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).