8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one

C17H11FN4OS — CID 3233703

IUPAC8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cncnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H11FN4OS/c18-12-5-3-11(4-6-12)9-22-16-13(8-19-10-20-16)21-15(17(22)23)14-2-1-7-24-14/h1-8,10H,9H2
InChIKeyLNDJFAHBNXCYFT-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.10
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one

8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233703) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one
PubChem CID3233703
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cncnc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H11FN4OS/c18-12-5-3-11(4-6-12)9-22-16-13(8-19-10-20-16)21-15(17(22)23)14-2-1-7-24-14/h1-8,10H,9H2
InChIKeyLNDJFAHBNXCYFT-UHFFFAOYSA-N
XLogP3.10
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one (CID 3233703) is 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one is O=c1c(-c2cccs2)nc2cncnc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The InChIKey is LNDJFAHBNXCYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4OS/c18-12-5-3-11(4-6-12)9-22-16-13(8-19-10-20-16)21-15(17(22)23)14-2-1-7-24-14/h1-8,10H,9H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one has a molecular weight of 338.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).