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

C16H10N4OS — CID 3232627

IUPAC8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cncnc2n1-c1ccccc1
InChIInChI=1S/C16H10N4OS/c21-16-14(13-7-4-8-22-13)19-12-9-17-10-18-15(12)20(16)11-5-2-1-3-6-11/h1-10H
InChIKeyXRDZSYAPJOLIRU-UHFFFAOYSA-N
MW306.35 g/mol
LogP2.90
Rot. Bonds2

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

8-phenyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3232627) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 8-phenyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-phenyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3232627
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name8-phenyl-6-thiophen-2-ylpteridin-7-one
SMILESO=c1c(-c2cccs2)nc2cncnc2n1-c1ccccc1
InChIInChI=1S/C16H10N4OS/c21-16-14(13-7-4-8-22-13)19-12-9-17-10-18-15(12)20(16)11-5-2-1-3-6-11/h1-10H
InChIKeyXRDZSYAPJOLIRU-UHFFFAOYSA-N
XLogP2.90
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221
9-thiophen-2-ylpurine-8-carbaldehyde
CID 123331261
N-phenyl-4-thiophen-2-ylpyrimidin-5-amine
CID 142763224
1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one
CID 4789379
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
2-methoxy-6-(4-methoxyphenyl)-8-phenylpteridin-7-one
CID 3234042
3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 1116973
4-ethyl-2-(ethylamino)-8-phenyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 69122722
8-[(4-fluorophenyl)methyl]-6-phenylpteridin-7-one
CID 3233076
3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 722908
4-(2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)phenol
CID 117164600
6-anilino-3-thiophen-2-yl-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 71912900

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-phenyl-6-thiophen-2-ylpteridin-7-one (CID 3232627) is 8-phenyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-phenyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-phenyl-6-thiophen-2-ylpteridin-7-one is O=c1c(-c2cccs2)nc2cncnc2n1-c1ccccc1.
What is the InChIKey of 8-phenyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is XRDZSYAPJOLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c21-16-14(13-7-4-8-22-13)19-12-9-17-10-18-15(12)20(16)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 8-phenyl-6-thiophen-2-ylpteridin-7-one?
8-phenyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 306.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3232627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).