2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one

C20H17N5O2 — CID 3233469

IUPAC2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)c1
InChIInChI=1S/C20H17N5O2/c1-25-18-16(23-17(19(25)26)13-7-4-3-5-8-13)12-21-20(24-18)22-14-9-6-10-15(11-14)27-2/h3-12H,1-2H3,(H,21,22,24)
InChIKeyFOGFIDUEISRPNV-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one

2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one (PubChem CID 3233469) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
PubChem CID3233469
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
SMILESCOc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)c1
InChIInChI=1S/C20H17N5O2/c1-25-18-16(23-17(19(25)26)13-7-4-3-5-8-13)12-21-20(24-18)22-14-9-6-10-15(11-14)27-2/h3-12H,1-2H3,(H,21,22,24)
InChIKeyFOGFIDUEISRPNV-UHFFFAOYSA-N
XLogP3.14
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234766
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
CID 3235426
2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
CID 3234696
3-(8-methyl-7-oxo-2-phenoxypteridin-6-yl)benzonitrile
CID 3232735
2-(ethylamino)-6-(4-fluorophenyl)-8-methylpteridin-7-one
CID 3233239
8-methyl-2-(4-methylpiperazin-1-yl)-6-phenylpteridin-7-one
CID 3234627
5-fluoro-2-N,4-N-bis(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 22061080
N-[3-(2-anilino-8-methoxy-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]benzamide
CID 24936706
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one (CID 3233469) is 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one is COc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one?
The InChIKey is FOGFIDUEISRPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-18-16(23-17(19(25)26)13-7-4-3-5-8-13)12-21-20(24-18)22-14-9-6-10-15(11-14)27-2/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one?
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one has a molecular weight of 359.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one is sourced from PubChem (CID 3233469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).