2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

C19H20FN5O2 — CID 3233272

IUPAC2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C19H20FN5O2/c1-2-21-19-22-10-15-17(24-19)25(11-14-4-3-9-27-14)18(26)16(23-15)12-5-7-13(20)8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,21,22,24)/t14-/m1/s1
InChIKeyUQSKQAIKDJSWPO-CQSZACIVSA-N
MW369.40 g/mol
LogP2.60
Rot. Bonds5

About 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one

2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (PubChem CID 3233272) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
PubChem CID3233272
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
SMILESCCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C19H20FN5O2/c1-2-21-19-22-10-15-17(24-19)25(11-14-4-3-9-27-14)18(26)16(23-15)12-5-7-13(20)8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,21,22,24)/t14-/m1/s1
InChIKeyUQSKQAIKDJSWPO-CQSZACIVSA-N
XLogP2.60
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The IUPAC name of 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one (CID 3233272) is 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The canonical SMILES for 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
The InChIKey is UQSKQAIKDJSWPO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-2-21-19-22-10-15-17(24-19)25(11-14-4-3-9-27-14)18(26)16(23-15)12-5-7-13(20)8-6-12/h5-8,10,14H,2-4,9,11H2,1H3,(H,21,22,24)/t14-/m1/s1.
What are the key properties of 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one?
2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one has a molecular weight of 369.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6-(4-fluorophenyl)-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one is sourced from PubChem (CID 3233272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).