8-cyclopropyl-6-thiophen-2-ylpteridin-7-one

C13H10N4OS — CID 3233657

IUPAC8-cyclopropyl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cncnc2n1C1CC1
InChIInChI=1S/C13H10N4OS/c18-13-11(10-2-1-5-19-10)16-9-6-14-7-15-12(9)17(13)8-3-4-8/h1-2,5-8H,3-4H2
InChIKeyFOHPZEPNLQCBLV-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.25
Rot. Bonds2

About 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one

8-cyclopropyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233657) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233657
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name8-cyclopropyl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cncnc2n1C1CC1
InChIInChI=1S/C13H10N4OS/c18-13-11(10-2-1-5-19-10)16-9-6-14-7-15-12(9)17(13)8-3-4-8/h1-2,5-8H,3-4H2
InChIKeyFOHPZEPNLQCBLV-UHFFFAOYSA-N
XLogP2.25
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one (CID 3233657) is 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one is O=c1c(-c2cccs2)nc2cncnc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is FOHPZEPNLQCBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c18-13-11(10-2-1-5-19-10)16-9-6-14-7-15-12(9)17(13)8-3-4-8/h1-2,5-8H,3-4H2.
What are the key properties of 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one?
8-cyclopropyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 270.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).