5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

C13H8Cl2N4OS — CID 57401314

IUPAC5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2ncnc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C13H8Cl2N4OS/c14-6-2-1-5(3-7(6)15)10-8-9(16)11(12(17)20)21-13(8)19-4-18-10/h1-4H,16H2,(H2,17,20)
InChIKeyVLONXLNAOJWNNV-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.35
Rot. Bonds2

About 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 57401314) has the molecular formula C13H8Cl2N4OS and a molecular weight of 339.21 g/mol. Its IUPAC name is 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID57401314
Molecular FormulaC13H8Cl2N4OS
Molecular Weight339.21 g/mol
Exact Mass337.98
IUPAC Name5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2ncnc(-c3ccc(Cl)c(Cl)c3)c2c1N
InChIInChI=1S/C13H8Cl2N4OS/c14-6-2-1-5(3-7(6)15)10-8-9(16)11(12(17)20)21-13(8)19-4-18-10/h1-4H,16H2,(H2,17,20)
InChIKeyVLONXLNAOJWNNV-UHFFFAOYSA-N
XLogP3.35
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 57401314) is 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2ncnc(-c3ccc(Cl)c(Cl)c3)c2c1N.
What is the InChIKey of 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is VLONXLNAOJWNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4OS/c14-6-2-1-5(3-7(6)15)10-8-9(16)11(12(17)20)21-13(8)19-4-18-10/h1-4H,16H2,(H2,17,20).
What are the key properties of 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 339.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 57401314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).