5,6-dihydro-3H-pteridin-4-one

C6H6N4O — CID 135755329

IUPAC5,6-dihydro-3H-pteridin-4-one
SMILESO=c1[nH]cnc2c1NCC=N2
InChIInChI=1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h2-3,7H,1H2,(H,9,10,11)
InChIKeyYSCLCDWFRZXKSB-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.10
Rot. Bonds

About 5,6-dihydro-3H-pteridin-4-one

5,6-dihydro-3H-pteridin-4-one (PubChem CID 135755329) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5,6-dihydro-3H-pteridin-4-one.

Molecular Properties

Compound Name5,6-dihydro-3H-pteridin-4-one
PubChem CID135755329
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5,6-dihydro-3H-pteridin-4-one
SMILESO=c1[nH]cnc2c1NCC=N2
InChIInChI=1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h2-3,7H,1H2,(H,9,10,11)
InChIKeyYSCLCDWFRZXKSB-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

6,7-dihydro-1H-imidazo[4,5-d][1,3]diazepin-6-ium-8-one
CID 147002754
1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one;3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one;ethane
CID 162199644
1,7-dihydropurin-6-one
CID 135546991
2,5-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3,4-dione
CID 135703347
azane;1,7-dihydropurin-6-one
CID 158320966
azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
CID 138986802
5-bromo-6-oxo-1H-pyrimidine-4-carbaldehyde
CID 136981407
5-phenyl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 155631294
4-bromo-5-iodo-1H-pyrimidin-6-one
CID 136757882
(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713366
(6R)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713365
1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
CID 137121597

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-3H-pteridin-4-one?
The IUPAC name of 5,6-dihydro-3H-pteridin-4-one (CID 135755329) is 5,6-dihydro-3H-pteridin-4-one.
What is the SMILES notation for 5,6-dihydro-3H-pteridin-4-one?
The canonical SMILES for 5,6-dihydro-3H-pteridin-4-one is O=c1[nH]cnc2c1NCC=N2.
What is the InChIKey of 5,6-dihydro-3H-pteridin-4-one?
The InChIKey is YSCLCDWFRZXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-6-4-5(9-3-10-6)8-2-1-7-4/h2-3,7H,1H2,(H,9,10,11).
What are the key properties of 5,6-dihydro-3H-pteridin-4-one?
5,6-dihydro-3H-pteridin-4-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 5,6-dihydro-3H-pteridin-4-one is sourced from PubChem (CID 135755329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).