2-(3-methoxyanilino)-8-methylpteridin-7-one

C14H13N5O2 — CID 3232670

IUPAC2-(3-methoxyanilino)-8-methylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3ncc(=O)n(C)c3n2)c1
InChIInChI=1S/C14H13N5O2/c1-19-12(20)8-15-11-7-16-14(18-13(11)19)17-9-4-3-5-10(6-9)21-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyVXTGJIZEYOHTOC-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.48
Rot. Bonds3

About 2-(3-methoxyanilino)-8-methylpteridin-7-one

2-(3-methoxyanilino)-8-methylpteridin-7-one (PubChem CID 3232670) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-8-methylpteridin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-8-methylpteridin-7-one
PubChem CID3232670
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-(3-methoxyanilino)-8-methylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3ncc(=O)n(C)c3n2)c1
InChIInChI=1S/C14H13N5O2/c1-19-12(20)8-15-11-7-16-14(18-13(11)19)17-9-4-3-5-10(6-9)21-2/h3-8H,1-2H3,(H,16,17,18)
InChIKeyVXTGJIZEYOHTOC-UHFFFAOYSA-N
XLogP1.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-8-methylpteridin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-8-methylpteridin-7-one (CID 3232670) is 2-(3-methoxyanilino)-8-methylpteridin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-8-methylpteridin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-8-methylpteridin-7-one is COc1cccc(Nc2ncc3ncc(=O)n(C)c3n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-8-methylpteridin-7-one?
The InChIKey is VXTGJIZEYOHTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-19-12(20)8-15-11-7-16-14(18-13(11)19)17-9-4-3-5-10(6-9)21-2/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of 2-(3-methoxyanilino)-8-methylpteridin-7-one?
2-(3-methoxyanilino)-8-methylpteridin-7-one has a molecular weight of 283.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-8-methylpteridin-7-one is sourced from PubChem (CID 3232670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).