2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one

C22H21N5O3 — CID 3234766

IUPAC2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C22H21N5O3/c1-29-13-12-27-20-18(14-23-22(26-20)24-16-6-4-3-5-7-16)25-19(21(27)28)15-8-10-17(30-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,24,26)
InChIKeyRPSKHSAEVYEMDA-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.25
Rot. Bonds7

About 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one

2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3234766) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
PubChem CID3234766
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C22H21N5O3/c1-29-13-12-27-20-18(14-23-22(26-20)24-16-6-4-3-5-7-16)25-19(21(27)28)15-8-10-17(30-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,24,26)
InChIKeyRPSKHSAEVYEMDA-UHFFFAOYSA-N
XLogP3.25
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
2-(3-chlorophenoxy)-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one
CID 3234895
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
2-(ethylamino)-6-phenyl-8-(2-phenylethyl)pteridin-7-one
CID 3232777
2-(3-methoxyanilino)-6,8-dimethylpteridin-7-one
CID 3233678
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]-3-methylbenzamide
CID 25094201
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]-3-fluorobenzamide
CID 25094271
8-cyclopropyl-6-(3,5-difluorophenyl)-2-(3-methoxyanilino)pteridin-7-one
CID 3235426
3-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]propanimidamide
CID 69099945
2-methoxy-6-(4-methoxyphenyl)-8-phenylpteridin-7-one
CID 3234042

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one (CID 3234766) is 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one is COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is RPSKHSAEVYEMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-13-12-27-20-18(14-23-22(26-20)24-16-6-4-3-5-7-16)25-19(21(27)28)15-8-10-17(30-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,24,26).
What are the key properties of 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one?
2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 403.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(2-methoxyethyl)-6-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3234766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).