5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione

C9H8N2O2S — CID 14914592

IUPAC5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1ccsc1-c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-14-7(5)6-4-10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyRDLWICAVBNFRCF-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.10
Rot. Bonds1

About 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione

5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 14914592) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID14914592
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione
SMILESCc1ccsc1-c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H8N2O2S/c1-5-2-3-14-7(5)6-4-10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13)
InChIKeyRDLWICAVBNFRCF-UHFFFAOYSA-N
XLogP1.10
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione (CID 14914592) is 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione is Cc1ccsc1-c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is RDLWICAVBNFRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-5-2-3-14-7(5)6-4-10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13).
What are the key properties of 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione?
5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 208.24 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiophen-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14914592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).