3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C19H14N2O2S — CID 2816855

IUPAC3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C19H14N2O2S/c1-12-7-9-14(10-8-12)21-18(22)15-11-16(13-5-3-2-4-6-13)24-17(15)20-19(21)23/h2-11H,1H3,(H,20,23)
InChIKeyGELYFXAYKMEYIN-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.72
Rot. Bonds2

About 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2816855) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID2816855
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C19H14N2O2S/c1-12-7-9-14(10-8-12)21-18(22)15-11-16(13-5-3-2-4-6-13)24-17(15)20-19(21)23/h2-11H,1H3,(H,20,23)
InChIKeyGELYFXAYKMEYIN-UHFFFAOYSA-N
XLogP3.72
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 2816855) is 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)[nH]c3sc(-c4ccccc4)cc3c2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GELYFXAYKMEYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-7-9-14(10-8-12)21-18(22)15-11-16(13-5-3-2-4-6-13)24-17(15)20-19(21)23/h2-11H,1H3,(H,20,23).
What are the key properties of 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 334.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2816855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).