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

C9H9N3O2S — CID 142673136

IUPAC5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCc1sc2nc(C(N)=O)[nH]c(=O)c2c1C
InChIInChI=1S/C9H9N3O2S/c1-3-4(2)15-9-5(3)8(14)11-7(12-9)6(10)13/h1-2H3,(H2,10,13)(H,11,12,14)
InChIKeySCKYHLANHUMSGX-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.70
Rot. Bonds1

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

5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 142673136) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID142673136
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCc1sc2nc(C(N)=O)[nH]c(=O)c2c1C
InChIInChI=1S/C9H9N3O2S/c1-3-4(2)15-9-5(3)8(14)11-7(12-9)6(10)13/h1-2H3,(H2,10,13)(H,11,12,14)
InChIKeySCKYHLANHUMSGX-UHFFFAOYSA-N
XLogP0.70
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]acetamide
CID 43090388
2-[1-chloro-2-(5-methylthiophen-2-yl)ethenyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4883022
2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylamino]-2-methylpropanamide
CID 61220767
2-(2-aminoethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 47000740
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-aminoacetate
CID 71305221
5-methyl-4-oxo-2-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28868088
6-bromo-2-(1-hydroxyethenyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 70297669
ethyl 2-(1-hydroxyethenyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 143679539
2-(2-aminoethylsulfanyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146468
ethyl 3-(4-tert-butylphenyl)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)prop-2-enoate
CID 3568788
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl carbamimidothioate
CID 65212395
ethyl (Z)-3-(4-acetamidophenyl)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)prop-2-enoate
CID 8601955

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide (CID 142673136) is 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is Cc1sc2nc(C(N)=O)[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is SCKYHLANHUMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-3-4(2)15-9-5(3)8(14)11-7(12-9)6(10)13/h1-2H3,(H2,10,13)(H,11,12,14).
What are the key properties of 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide?
5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 142673136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).