5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide

C16H9Cl2N5OS — CID 70839232

IUPAC5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
SMILESN#Cc1c(-c2cc(N)ncn2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2N5OS/c17-7-1-2-8(10(18)3-7)13-9(5-19)14(25-15(13)16(21)24)11-4-12(20)23-6-22-11/h1-4,6H,(H2,21,24)(H2,20,22,23)
InChIKeyZCLQQNGQDYTWOR-UHFFFAOYSA-N
MW390.26 g/mol
LogP3.73
Rot. Bonds3

About 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide

5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide (PubChem CID 70839232) has the molecular formula C16H9Cl2N5OS and a molecular weight of 390.26 g/mol. Its IUPAC name is 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
PubChem CID70839232
Molecular FormulaC16H9Cl2N5OS
Molecular Weight390.26 g/mol
Exact Mass388.99
IUPAC Name5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide
SMILESN#Cc1c(-c2cc(N)ncn2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2N5OS/c17-7-1-2-8(10(18)3-7)13-9(5-19)14(25-15(13)16(21)24)11-4-12(20)23-6-22-11/h1-4,6H,(H2,21,24)(H2,20,22,23)
InChIKeyZCLQQNGQDYTWOR-UHFFFAOYSA-N
XLogP3.73
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide (CID 70839232) is 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide is N#Cc1c(-c2cc(N)ncn2)sc(C(N)=O)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
The InChIKey is ZCLQQNGQDYTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2N5OS/c17-7-1-2-8(10(18)3-7)13-9(5-19)14(25-15(13)16(21)24)11-4-12(20)23-6-22-11/h1-4,6H,(H2,21,24)(H2,20,22,23).
What are the key properties of 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide?
5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide has a molecular weight of 390.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyrimidin-4-yl)-4-cyano-3-(2,4-dichlorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 70839232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).