2-methoxy-8-methylpteridin-7-one

C8H8N4O2 — CID 3232856

IUPAC2-methoxy-8-methylpteridin-7-one
SMILESCOc1ncc2ncc(=O)n(C)c2n1
InChIInChI=1S/C8H8N4O2/c1-12-6(13)4-9-5-3-10-8(14-2)11-7(5)12/h3-4H,1-2H3
InChIKeyPEYHXWNAJNLPEP-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.27
Rot. Bonds1

About 2-methoxy-8-methylpteridin-7-one

2-methoxy-8-methylpteridin-7-one (PubChem CID 3232856) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methoxy-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-methylpteridin-7-one
PubChem CID3232856
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-methoxy-8-methylpteridin-7-one
SMILESCOc1ncc2ncc(=O)n(C)c2n1
InChIInChI=1S/C8H8N4O2/c1-12-6(13)4-9-5-3-10-8(14-2)11-7(5)12/h3-4H,1-2H3
InChIKeyPEYHXWNAJNLPEP-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-Dihydropteridine-6,7-dione
CID 10820906
8-Methyl-2-(4-methylpiperazin-1-yl)pteridin-7-one
CID 3232646
6,8-Dimethyl-2-piperazin-1-ylpteridin-7-one
CID 3233003
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
3-(2-Methoxy-6-methyl-7-oxopteridin-8-yl)propanenitrile
CID 3233319
8-Cyclopropyl-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3233384
8-Cyclopropyl-2-(ethylamino)-6-methylpteridin-7-one
CID 3233431
2-(Ethylamino)-8-methylpteridin-7-one
CID 3233773
8-Cyclopropyl-2-methoxypteridin-7-one
CID 3233786
8-Cyclopropyl-2-methoxy-6-methylpteridin-7-one
CID 3234207
8-(2-Methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3234388
3-[6-Methyl-2-(4-methylpiperazin-1-yl)-7-oxopteridin-8-yl]propanenitrile
CID 3234661

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-methylpteridin-7-one?
The IUPAC name of 2-methoxy-8-methylpteridin-7-one (CID 3232856) is 2-methoxy-8-methylpteridin-7-one.
What is the SMILES notation for 2-methoxy-8-methylpteridin-7-one?
The canonical SMILES for 2-methoxy-8-methylpteridin-7-one is COc1ncc2ncc(=O)n(C)c2n1.
What is the InChIKey of 2-methoxy-8-methylpteridin-7-one?
The InChIKey is PEYHXWNAJNLPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-12-6(13)4-9-5-3-10-8(14-2)11-7(5)12/h3-4H,1-2H3.
What are the key properties of 2-methoxy-8-methylpteridin-7-one?
2-methoxy-8-methylpteridin-7-one has a molecular weight of 192.18 g/mol, XLogP of -0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methylpteridin-7-one is sourced from PubChem (CID 3232856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).