5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

C8H7N3O2S — CID 734348

IUPAC5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O2S/c1-3-4-7(13)10-2-11-8(4)14-5(3)6(9)12/h2H,1H3,(H2,9,12)(H,10,11,13)
InChIKeySZXREMIPKYVHKQ-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.39
Rot. Bonds1

About 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 734348) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID734348
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(N)=O)sc2nc[nH]c(=O)c12
InChIInChI=1S/C8H7N3O2S/c1-3-4-7(13)10-2-11-8(4)14-5(3)6(9)12/h2H,1H3,(H2,9,12)(H,10,11,13)
InChIKeySZXREMIPKYVHKQ-UHFFFAOYSA-N
XLogP0.39
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide (CID 734348) is 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(N)=O)sc2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SZXREMIPKYVHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-3-4-7(13)10-2-11-8(4)14-5(3)6(9)12/h2H,1H3,(H2,9,12)(H,10,11,13).
What are the key properties of 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 209.23 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 734348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).