2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one

C15H15N5O2 — CID 3233678

IUPAC2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(C)c(=O)n(C)c3n2)c1
InChIInChI=1S/C15H15N5O2/c1-9-14(21)20(2)13-12(17-9)8-16-15(19-13)18-10-5-4-6-11(7-10)22-3/h4-8H,1-3H3,(H,16,18,19)
InChIKeyCVCXLDXDKXGULY-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.78
Rot. Bonds3

About 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one

2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one (PubChem CID 3233678) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
PubChem CID3233678
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(C)c(=O)n(C)c3n2)c1
InChIInChI=1S/C15H15N5O2/c1-9-14(21)20(2)13-12(17-9)8-16-15(19-13)18-10-5-4-6-11(7-10)22-3/h4-8H,1-3H3,(H,16,18,19)
InChIKeyCVCXLDXDKXGULY-UHFFFAOYSA-N
XLogP1.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
CID 3234696
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
CID 3235426
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
3-(2-anilino-6-methyl-7-oxopteridin-8-yl)propanenitrile
CID 3234677
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234766
4-(3-methoxyanilino)-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 11292588
8-(3-aminopropoxy)-6-(2,6-dichlorophenyl)-2-(3-methoxyanilino)pyrido[2,3-d]pyrimidin-7-one
CID 24937334
3,4-bis(3-methoxyanilino)cyclobut-3-ene-1,2-dione
CID 2824412
3-N-[3-(3,5-dimethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]benzene-1,3-diamine
CID 70338594
N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
CID 71737449

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one (CID 3233678) is 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one is COc1cccc(Nc2ncc3nc(C)c(=O)n(C)c3n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one?
The InChIKey is CVCXLDXDKXGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-9-14(21)20(2)13-12(17-9)8-16-15(19-13)18-10-5-4-6-11(7-10)22-3/h4-8H,1-3H3,(H,16,18,19).
What are the key properties of 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one?
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one has a molecular weight of 297.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one is sourced from PubChem (CID 3233678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).