1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide

C11H14N6OS — CID 53181467

IUPAC1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCn1ncc2c(N3CCSCC3)nc(C(N)=O)nc21
InChIInChI=1S/C11H14N6OS/c1-16-10-7(6-13-16)11(15-9(14-10)8(12)18)17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H2,12,18)
InChIKeyALNGQUDQYXYMJH-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.02
Rot. Bonds2

About 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide

1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide (PubChem CID 53181467) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
PubChem CID53181467
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
SMILESCn1ncc2c(N3CCSCC3)nc(C(N)=O)nc21
InChIInChI=1S/C11H14N6OS/c1-16-10-7(6-13-16)11(15-9(14-10)8(12)18)17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H2,12,18)
InChIKeyALNGQUDQYXYMJH-UHFFFAOYSA-N
XLogP0.02
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide (CID 53181467) is 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide is Cn1ncc2c(N3CCSCC3)nc(C(N)=O)nc21.
What is the InChIKey of 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
The InChIKey is ALNGQUDQYXYMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-16-10-7(6-13-16)11(15-9(14-10)8(12)18)17-2-4-19-5-3-17/h6H,2-5H2,1H3,(H2,12,18).
What are the key properties of 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide?
1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-thiomorpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53181467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).