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

C19H16FN5OS — CID 3235507

IUPAC2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C19H16FN5OS/c1-2-21-19-22-10-14-17(24-19)25(11-12-5-7-13(20)8-6-12)18(26)16(23-14)15-4-3-9-27-15/h3-10H,2,11H2,1H3,(H,21,22,24)
InChIKeyONZPYDSZBNUZDN-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.53
Rot. Bonds5

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

2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one (PubChem CID 3235507) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one
PubChem CID3235507
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3ccc(F)cc3)c2n1
InChIInChI=1S/C19H16FN5OS/c1-2-21-19-22-10-14-17(24-19)25(11-12-5-7-13(20)8-6-12)18(26)16(23-14)15-4-3-9-27-15/h3-10H,2,11H2,1H3,(H,21,22,24)
InChIKeyONZPYDSZBNUZDN-UHFFFAOYSA-N
XLogP3.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one (CID 3235507) is 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
The InChIKey is ONZPYDSZBNUZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-2-21-19-22-10-14-17(24-19)25(11-12-5-7-13(20)8-6-12)18(26)16(23-14)15-4-3-9-27-15/h3-10H,2,11H2,1H3,(H,21,22,24).
What are the key properties of 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one has a molecular weight of 381.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-[(4-fluorophenyl)methyl]-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3235507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).