2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one

C17H19N5O2 — CID 3235153

IUPAC2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C17H19N5O2/c1-3-18-17-19-11-13-15(21-17)22(9-10-24-2)16(23)14(20-13)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyOHHDIZQQOHJVMZ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds6

About 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one

2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one (PubChem CID 3235153) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
PubChem CID3235153
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one
SMILESCCNc1ncc2nc(-c3ccccc3)c(=O)n(CCOC)c2n1
InChIInChI=1S/C17H19N5O2/c1-3-18-17-19-11-13-15(21-17)22(9-10-24-2)16(23)14(20-13)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21)
InChIKeyOHHDIZQQOHJVMZ-UHFFFAOYSA-N
XLogP1.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one (CID 3235153) is 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one is CCNc1ncc2nc(-c3ccccc3)c(=O)n(CCOC)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
The InChIKey is OHHDIZQQOHJVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-18-17-19-11-13-15(21-17)22(9-10-24-2)16(23)14(20-13)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,18,19,21).
What are the key properties of 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one?
2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one has a molecular weight of 325.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(2-methoxyethyl)-6-phenylpteridin-7-one is sourced from PubChem (CID 3235153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).