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

C12H17N5O2 — CID 3233928

IUPAC2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(CCOC)c2n1
InChIInChI=1S/C12H17N5O2/c1-4-13-12-14-7-9-10(16-12)17(5-6-19-3)11(18)8(2)15-9/h7H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyKJYICRGKUSSOEW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.57
Rot. Bonds5

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

2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one (PubChem CID 3233928) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
PubChem CID3233928
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(CCOC)c2n1
InChIInChI=1S/C12H17N5O2/c1-4-13-12-14-7-9-10(16-12)17(5-6-19-3)11(18)8(2)15-9/h7H,4-6H2,1-3H3,(H,13,14,16)
InChIKeyKJYICRGKUSSOEW-UHFFFAOYSA-N
XLogP0.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one (CID 3233928) is 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one is CCNc1ncc2nc(C)c(=O)n(CCOC)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
The InChIKey is KJYICRGKUSSOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-13-12-14-7-9-10(16-12)17(5-6-19-3)11(18)8(2)15-9/h7H,4-6H2,1-3H3,(H,13,14,16).
What are the key properties of 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one?
2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one has a molecular weight of 263.30 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(2-methoxyethyl)-6-methylpteridin-7-one is sourced from PubChem (CID 3233928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).