3-methoxy-6-methylpteridin-4-one

C8H8N4O2 — CID 595486

IUPAC3-methoxy-6-methylpteridin-4-one
SMILESCOn1cnc2ncc(C)nc2c1=O
InChIInChI=1S/C8H8N4O2/c1-5-3-9-7-6(11-5)8(13)12(14-2)4-10-7/h3-4H,1-2H3
InChIKeySYZFNEIJXPOPGI-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.45
Rot. Bonds1

About 3-methoxy-6-methylpteridin-4-one

3-methoxy-6-methylpteridin-4-one (PubChem CID 595486) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-methoxy-6-methylpteridin-4-one.

Molecular Properties

Compound Name3-methoxy-6-methylpteridin-4-one
PubChem CID595486
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-methoxy-6-methylpteridin-4-one
SMILESCOn1cnc2ncc(C)nc2c1=O
InChIInChI=1S/C8H8N4O2/c1-5-3-9-7-6(11-5)8(13)12(14-2)4-10-7/h3-4H,1-2H3
InChIKeySYZFNEIJXPOPGI-UHFFFAOYSA-N
XLogP-0.45
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-methylpteridin-4-one
CID 91621946
7-methoxy-1-methylpurin-6-one
CID 14192026
N-(6-methoxy-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
CID 102315640
2-(dimethylamino)-6-methyl-3H-pteridin-4-one
CID 141002834
2,3,6-trimethylpyrazolo[3,4-b]pyrazine
CID 166898119
4,10-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 165049809
3-methoxy-2-methylpteridin-4-one
CID 551865
5-methyl-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),2,4,6,8,10,12-heptaene
CID 157282593
2,7-dimethyl-3H-pteridin-4-one
CID 135822589
5,6,7,8-tetrafluoro-2-methylquinoxaline
CID 98040625
7-methoxy-2-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 170012027
N-(3-methoxy-5-methylpyrazin-2-yl)formamide
CID 91597078

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methylpteridin-4-one?
The IUPAC name of 3-methoxy-6-methylpteridin-4-one (CID 595486) is 3-methoxy-6-methylpteridin-4-one.
What is the SMILES notation for 3-methoxy-6-methylpteridin-4-one?
The canonical SMILES for 3-methoxy-6-methylpteridin-4-one is COn1cnc2ncc(C)nc2c1=O.
What is the InChIKey of 3-methoxy-6-methylpteridin-4-one?
The InChIKey is SYZFNEIJXPOPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5-3-9-7-6(11-5)8(13)12(14-2)4-10-7/h3-4H,1-2H3.
What are the key properties of 3-methoxy-6-methylpteridin-4-one?
3-methoxy-6-methylpteridin-4-one has a molecular weight of 192.18 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methylpteridin-4-one is sourced from PubChem (CID 595486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).