8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one

C21H25N5O3 — CID 3235036

IUPAC8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc21
InChIInChI=1S/C21H25N5O3/c1-28-12-11-26-19-18(15-22-21(24-19)25-9-13-29-14-10-25)23-17(20(26)27)8-7-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyDLAXXYYNDINBMB-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.45
Rot. Bonds7

About 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one

8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3235036) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
PubChem CID3235036
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
SMILESCOCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc21
InChIInChI=1S/C21H25N5O3/c1-28-12-11-26-19-18(15-22-21(24-19)25-9-13-29-14-10-25)23-17(20(26)27)8-7-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyDLAXXYYNDINBMB-UHFFFAOYSA-N
XLogP1.45
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-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

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one (CID 3235036) is 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one is COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is DLAXXYYNDINBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-28-12-11-26-19-18(15-22-21(24-19)25-9-13-29-14-10-25)23-17(20(26)27)8-7-16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one?
8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 395.46 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3235036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).