3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C18H10Cl2N2O2S — CID 3559126

IUPAC3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl2N2O2S/c19-13-7-6-11(8-14(13)20)22-17(23)15-12(10-4-2-1-3-5-10)9-25-16(15)21-18(22)24/h1-9H,(H,21,24)
InChIKeyXMKRUAUAGJWOOW-UHFFFAOYSA-N
MW389.26 g/mol
LogP4.71
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 3559126) has the molecular formula C18H10Cl2N2O2S and a molecular weight of 389.26 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID3559126
Molecular FormulaC18H10Cl2N2O2S
Molecular Weight389.26 g/mol
Exact Mass387.98
IUPAC Name3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H10Cl2N2O2S/c19-13-7-6-11(8-14(13)20)22-17(23)15-12(10-4-2-1-3-5-10)9-25-16(15)21-18(22)24/h1-9H,(H,21,24)
InChIKeyXMKRUAUAGJWOOW-UHFFFAOYSA-N
XLogP4.71
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 3559126) is 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XMKRUAUAGJWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N2O2S/c19-13-7-6-11(8-14(13)20)22-17(23)15-12(10-4-2-1-3-5-10)9-25-16(15)21-18(22)24/h1-9H,(H,21,24).
What are the key properties of 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 389.26 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3559126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).