6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one

C18H14N4O2S — CID 3232833

IUPAC6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(Oc3ccccc3)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C18H14N4O2S/c1-12-17(23)22(11-14-8-5-9-25-14)16-15(20-12)10-19-18(21-16)24-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKeyMFSKGAOXCOHWCE-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.40
Rot. Bonds4

About 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one

6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3232833) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3232833
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC Name6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(Oc3ccccc3)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C18H14N4O2S/c1-12-17(23)22(11-14-8-5-9-25-14)16-15(20-12)10-19-18(21-16)24-13-6-3-2-4-7-13/h2-10H,11H2,1H3
InChIKeyMFSKGAOXCOHWCE-UHFFFAOYSA-N
XLogP3.40
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3232833) is 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one is Cc1nc2cnc(Oc3ccccc3)nc2n(Cc2cccs2)c1=O.
What is the InChIKey of 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is MFSKGAOXCOHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-12-17(23)22(11-14-8-5-9-25-14)16-15(20-12)10-19-18(21-16)24-13-6-3-2-4-7-13/h2-10H,11H2,1H3.
What are the key properties of 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 350.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3232833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).