3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

C13H10N2O2S — CID 45030940

IUPAC3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C13H10N2O2S/c1-8-4-2-3-5-10(8)15-12(16)11-9(6-7-18-11)14-13(15)17/h2-7H,1H3,(H,14,17)
InChIKeyKZUMHWPCMUVEAH-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.05
Rot. Bonds1

About 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 45030940) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID45030940
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCc1ccccc1-n1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C13H10N2O2S/c1-8-4-2-3-5-10(8)15-12(16)11-9(6-7-18-11)14-13(15)17/h2-7H,1H3,(H,14,17)
InChIKeyKZUMHWPCMUVEAH-UHFFFAOYSA-N
XLogP2.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 45030940) is 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is Cc1ccccc1-n1c(=O)[nH]c2ccsc2c1=O.
What is the InChIKey of 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is KZUMHWPCMUVEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-4-2-3-5-10(8)15-12(16)11-9(6-7-18-11)14-13(15)17/h2-7H,1H3,(H,14,17).
What are the key properties of 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 258.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 45030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).