2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one

C18H18N4O3 — CID 3233794

IUPAC2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
SMILESCOc1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C18H18N4O3/c1-24-18-19-10-14-16(21-18)22(11-13-8-5-9-25-13)17(23)15(20-14)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyOULWOPRNRGKOBX-CYBMUJFWSA-N
MW338.37 g/mol
LogP2.04
Rot. Bonds4

About 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one

2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one (PubChem CID 3233794) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one.

Molecular Properties

Compound Name2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
PubChem CID3233794
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one
SMILESCOc1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1
InChIInChI=1S/C18H18N4O3/c1-24-18-19-10-14-16(21-18)22(11-13-8-5-9-25-13)17(23)15(20-14)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyOULWOPRNRGKOBX-CYBMUJFWSA-N
XLogP2.04
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
The IUPAC name of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one (CID 3233794) is 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one.
What is the SMILES notation for 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
The canonical SMILES for 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one is COc1ncc2nc(-c3ccccc3)c(=O)n(C[C@H]3CCCO3)c2n1.
What is the InChIKey of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
The InChIKey is OULWOPRNRGKOBX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-18-19-10-14-16(21-18)22(11-13-8-5-9-25-13)17(23)15(20-14)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one?
2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one has a molecular weight of 338.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-[[(2R)-oxolan-2-yl]methyl]-6-phenylpteridin-7-one is sourced from PubChem (CID 3233794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).