2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one

C12H17N5O2 — CID 3233105

IUPAC2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N(C)C)nc21
InChIInChI=1S/C12H17N5O2/c1-8-11(18)17(5-6-19-4)10-9(14-8)7-13-12(15-10)16(2)3/h7H,5-6H2,1-4H3
InChIKeyGGPSUGZEOVDPDG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.21
Rot. Bonds4

About 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one

2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one (PubChem CID 3233105) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
PubChem CID3233105
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N(C)C)nc21
InChIInChI=1S/C12H17N5O2/c1-8-11(18)17(5-6-19-4)10-9(14-8)7-13-12(15-10)16(2)3/h7H,5-6H2,1-4H3
InChIKeyGGPSUGZEOVDPDG-UHFFFAOYSA-N
XLogP0.21
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one (CID 3233105) is 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one is COCCn1c(=O)c(C)nc2cnc(N(C)C)nc21.
What is the InChIKey of 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
The InChIKey is GGPSUGZEOVDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-11(18)17(5-6-19-4)10-9(14-8)7-13-12(15-10)16(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one has a molecular weight of 263.30 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one is sourced from PubChem (CID 3233105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).