4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide

C9H10N4OS — CID 71654838

IUPAC4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2cc(C(N)=O)sc12
InChIInChI=1S/C9H10N4OS/c1-2-11-9-7-5(12-4-13-9)3-6(15-7)8(10)14/h3-4H,2H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyYDSXTZWHHFZKML-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.22
Rot. Bonds3

About 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide

4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide (PubChem CID 71654838) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide
PubChem CID71654838
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide
SMILESCCNc1ncnc2cc(C(N)=O)sc12
InChIInChI=1S/C9H10N4OS/c1-2-11-9-7-5(12-4-13-9)3-6(15-7)8(10)14/h3-4H,2H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyYDSXTZWHHFZKML-UHFFFAOYSA-N
XLogP1.22
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide (CID 71654838) is 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide is CCNc1ncnc2cc(C(N)=O)sc12.
What is the InChIKey of 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide?
The InChIKey is YDSXTZWHHFZKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-2-11-9-7-5(12-4-13-9)3-6(15-7)8(10)14/h3-4H,2H2,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide?
4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide has a molecular weight of 222.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)thieno[3,2-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71654838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).