N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

C15H12Cl2N4OS — CID 140601623

IUPACN-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1c(N)c(C)c(Cl)c(NC(=O)c2csc3cncnc23)c1Cl
InChIInChI=1S/C15H12Cl2N4OS/c1-6-10(16)14(11(17)7(2)12(6)18)21-15(22)8-4-23-9-3-19-5-20-13(8)9/h3-5H,18H2,1-2H3,(H,21,22)
InChIKeyJILIIAUYBPZNMU-UHFFFAOYSA-N
MW367.26 g/mol
LogP4.45
Rot. Bonds2

About N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide

N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (PubChem CID 140601623) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
PubChem CID140601623
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC NameN-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide
SMILESCc1c(N)c(C)c(Cl)c(NC(=O)c2csc3cncnc23)c1Cl
InChIInChI=1S/C15H12Cl2N4OS/c1-6-10(16)14(11(17)7(2)12(6)18)21-15(22)8-4-23-9-3-19-5-20-13(8)9/h3-5H,18H2,1-2H3,(H,21,22)
InChIKeyJILIIAUYBPZNMU-UHFFFAOYSA-N
XLogP4.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide (CID 140601623) is N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is Cc1c(N)c(C)c(Cl)c(NC(=O)c2csc3cncnc23)c1Cl.
What is the InChIKey of N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is JILIIAUYBPZNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-6-10(16)14(11(17)7(2)12(6)18)21-15(22)8-4-23-9-3-19-5-20-13(8)9/h3-5H,18H2,1-2H3,(H,21,22).
What are the key properties of N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide?
N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 367.26 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichloro-3,5-dimethylphenyl)thieno[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 140601623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).