2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one

C17H19N5O — CID 3232701

IUPAC2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C17H19N5O/c1-3-18-17-19-11-14-15(21-17)22(16(23)12(2)20-14)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyHWKKZCHYRYRTDM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.17
Rot. Bonds5

About 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one

2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one (PubChem CID 3232701) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one
PubChem CID3232701
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one
SMILESCCNc1ncc2nc(C)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C17H19N5O/c1-3-18-17-19-11-14-15(21-17)22(16(23)12(2)20-14)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyHWKKZCHYRYRTDM-UHFFFAOYSA-N
XLogP2.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(ethylamino)-6-methyl-8-(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 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one (CID 3232701) is 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one is CCNc1ncc2nc(C)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one?
The InChIKey is HWKKZCHYRYRTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-18-17-19-11-14-15(21-17)22(16(23)12(2)20-14)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one?
2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one has a molecular weight of 309.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-methyl-8-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).