2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one

C24H25N5O3 — CID 3234696

IUPAC2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(CCc2ccccc2)nc2cnc(Nc3cccc(OC)c3)nc21
InChIInChI=1S/C24H25N5O3/c1-31-14-13-29-22-21(27-20(23(29)30)12-11-17-7-4-3-5-8-17)16-25-24(28-22)26-18-9-6-10-19(15-18)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,28)
InChIKeyOPXFMFKDCDSXAM-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.37
Rot. Bonds9

About 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one

2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3234696) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
PubChem CID3234696
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(CCc2ccccc2)nc2cnc(Nc3cccc(OC)c3)nc21
InChIInChI=1S/C24H25N5O3/c1-31-14-13-29-22-21(27-20(23(29)30)12-11-17-7-4-3-5-8-17)16-25-24(28-22)26-18-9-6-10-19(15-18)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,28)
InChIKeyOPXFMFKDCDSXAM-UHFFFAOYSA-N
XLogP3.37
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234766
2-(3-methoxyanilino)-8-methyl-6-phenylpteridin-7-one
CID 3233469
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
8-[2-(2-methoxyphenyl)ethyl]-6-(2-phenylethyl)pteridin-7-one
CID 3235492
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
CID 3235426
3-(2-anilino-6-methyl-7-oxopteridin-8-yl)propanenitrile
CID 3234677
2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3234630
2-anilino-8-[(3,5-dimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 18374812
2-(3-methoxyanilino)-N-phenyl-4-[[3-(prop-2-enoylamino)phenyl]methyl]pyrimidine-5-carboxamide
CID 89432607
2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234895
2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one
CID 3232777

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one (CID 3234696) is 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one is COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Nc3cccc(OC)c3)nc21.
What is the InChIKey of 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is OPXFMFKDCDSXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-31-14-13-29-22-21(27-20(23(29)30)12-11-17-7-4-3-5-8-17)16-25-24(28-22)26-18-9-6-10-19(15-18)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,25,26,28).
What are the key properties of 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one?
2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 431.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-8-(2-methoxyethyl)-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3234696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).