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

C14H7Cl2N5OS — CID 69236911

IUPAC5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESN#Cc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H7Cl2N5OS/c15-6-2-1-5(3-7(6)16)11-9-10(18)12(13(19)22)23-14(9)21-8(4-17)20-11/h1-3H,18H2,(H2,19,22)
InChIKeyCIRUQXXOWYOOON-UHFFFAOYSA-N
MW364.22 g/mol
LogP3.22
Rot. Bonds2

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

5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 69236911) has the molecular formula C14H7Cl2N5OS and a molecular weight of 364.22 g/mol. Its IUPAC name is 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID69236911
Molecular FormulaC14H7Cl2N5OS
Molecular Weight364.22 g/mol
Exact Mass362.97
IUPAC Name5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESN#Cc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1
InChIInChI=1S/C14H7Cl2N5OS/c15-6-2-1-5(3-7(6)16)11-9-10(18)12(13(19)22)23-14(9)21-8(4-17)20-11/h1-3H,18H2,(H2,19,22)
InChIKeyCIRUQXXOWYOOON-UHFFFAOYSA-N
XLogP3.22
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.22
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 69236911) is 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is N#Cc1nc(-c2ccc(Cl)c(Cl)c2)c2c(N)c(C(N)=O)sc2n1.
What is the InChIKey of 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is CIRUQXXOWYOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N5OS/c15-6-2-1-5(3-7(6)16)11-9-10(18)12(13(19)22)23-14(9)21-8(4-17)20-11/h1-3H,18H2,(H2,19,22).
What are the key properties of 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 364.22 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyano-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 69236911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).