2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C16H10N2O2S2 — CID 2484117

IUPAC2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H10N2O2S2/c19-10-5-3-9(4-6-10)14-17-15(20)13-11(8-22-16(13)18-14)12-2-1-7-21-12/h1-8,19H,(H,17,18,20)
InChIKeyKVPZVNDDCQIGQQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.09
Rot. Bonds2

About 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2484117) has the molecular formula C16H10N2O2S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2484117
Molecular FormulaC16H10N2O2S2
Molecular Weight326.40 g/mol
Exact Mass326.02
IUPAC Name2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(O)cc2)nc2scc(-c3cccs3)c12
InChIInChI=1S/C16H10N2O2S2/c19-10-5-3-9(4-6-10)14-17-15(20)13-11(8-22-16(13)18-14)12-2-1-7-21-12/h1-8,19H,(H,17,18,20)
InChIKeyKVPZVNDDCQIGQQ-UHFFFAOYSA-N
XLogP4.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Hydroxyphenyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 703281
2-(4-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2556334
2-(4-Hydroxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4(3h)-one
CID 136120383
2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 11702125
2-(4-Hydroxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
CID 714750
2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one
CID 136219269
5-butyl-2-(3,4-dihydroxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 136239440
2-(3,4-dihydroxyphenyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 136242349
5-(4-Hydroxyphenyl)-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one
CID 136242352
2-(3,4-dihydroxyphenyl)-6-methyl-5-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 136242353
2-(3,4-dihydroxyphenyl)-6-ethyl-5-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 136242355
10-(3,4-Dihydroxyphenyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 136242356

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2484117) is 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(O)cc2)nc2scc(-c3cccs3)c12.
What is the InChIKey of 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KVPZVNDDCQIGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S2/c19-10-5-3-9(4-6-10)14-17-15(20)13-11(8-22-16(13)18-14)12-2-1-7-21-12/h1-8,19H,(H,17,18,20).
What are the key properties of 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 326.40 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2484117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).