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

C26H26N4O4 — CID 3234630

IUPAC2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1
InChIInChI=1S/C26H26N4O4/c1-32-19-10-12-20(13-11-19)34-26-27-16-23-24(29-26)30(17-21-8-5-15-33-21)25(31)22(28-23)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,16,21H,5,8-9,14-15,17H2,1H3/t21-/m1/s1
InChIKeyWDHGYUQIEDLFSR-OAQYLSRUSA-N
MW458.52 g/mol
LogP3.95
Rot. Bonds8

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

2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3234630) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
PubChem CID3234630
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one
SMILESCOc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1
InChIInChI=1S/C26H26N4O4/c1-32-19-10-12-20(13-11-19)34-26-27-16-23-24(29-26)30(17-21-8-5-15-33-21)25(31)22(28-23)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,16,21H,5,8-9,14-15,17H2,1H3/t21-/m1/s1
InChIKeyWDHGYUQIEDLFSR-OAQYLSRUSA-N
XLogP3.95
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-methoxyphenoxy)-6-methyl-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3234609
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233794
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]pteridin-7-one
CID 3233097
2-(3-methoxyanilino)-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
CID 3233418
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7868999
8-[(3-methoxyphenyl)methyl]-6-methyl-2-phenoxypteridin-7-one
CID 3235277
3-benzyl-8-(4-methoxyphenyl)-7-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione
CID 25341710
8-cyclopropyl-2-(4-methoxyphenoxy)-6-methylpteridin-7-one
CID 3233795
2-[(2,5-dimethoxyphenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 8581817
7-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylpurine-2,6-dione
CID 42862989
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 46297652
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865495

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one (CID 3234630) is 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one is COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C[C@H]4CCCO4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is WDHGYUQIEDLFSR-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-32-19-10-12-20(13-11-19)34-26-27-16-23-24(29-26)30(17-21-8-5-15-33-21)25(31)22(28-23)14-9-18-6-3-2-4-7-18/h2-4,6-7,10-13,16,21H,5,8-9,14-15,17H2,1H3/t21-/m1/s1.
What are the key properties of 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one?
2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 458.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-8-[[(2R)-oxolan-2-yl]methyl]-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3234630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).