7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

C12H8N2O2S — CID 10354458

IUPAC7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2scc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C12H8N2O2S/c15-11-10-9(13-12(16)14-11)8(6-17-10)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16)
InChIKeyMXMJBTPGEYYXFD-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.94
Rot. Bonds1

About 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 10354458) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID10354458
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)c2scc(-c3ccccc3)c2[nH]1
InChIInChI=1S/C12H8N2O2S/c15-11-10-9(13-12(16)14-11)8(6-17-10)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16)
InChIKeyMXMJBTPGEYYXFD-UHFFFAOYSA-N
XLogP1.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-phenyl-1,4-dihydrothieno[2,3-b]pyrazine-2,3-dione
CID 19100767
5-phenyl-3-thia-7,10-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),4-triene-9,13-dione
CID 170859808
1-phenyl-5H-thieno[2,3-c]quinolin-4-one;hydrochloride
CID 67457005
1,1'-biphenyl;7,9-dihydro-3H-purine-2,6,8-trione
CID 174945142
5,7-diphenyl-1H-quinazoline-2,4-dione
CID 53358877
13-methyl-11-(4-phenylphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione
CID 11494754
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
CID 134908518
5-(4-propan-2-ylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 82098425
4-phenyl-3H-1,3-thiazol-2-one
CID 698903
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
2,4-dioxo-6-phenyl-1H-quinazoline-5-sulfonic acid
CID 22642195
6-phenylthieno[3,2-b]thiophene
CID 91665235

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 10354458) is 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c(=O)c2scc(-c3ccccc3)c2[nH]1.
What is the InChIKey of 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is MXMJBTPGEYYXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-11-10-9(13-12(16)14-11)8(6-17-10)7-4-2-1-3-5-7/h1-6H,(H2,13,14,15,16).
What are the key properties of 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 244.28 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10354458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).