methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

C9H9N3O3S — CID 722597

IUPACmethyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncn(N)c(=O)c2c1C
InChIInChI=1S/C9H9N3O3S/c1-4-5-7(11-3-12(10)8(5)13)16-6(4)9(14)15-2/h3H,10H2,1-2H3
InChIKeyWCCLAJTVNIHXKC-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.27
Rot. Bonds1

About methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 722597) has the molecular formula C9H9N3O3S and a molecular weight of 239.26 g/mol. Its IUPAC name is methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID722597
Molecular FormulaC9H9N3O3S
Molecular Weight239.26 g/mol
Exact Mass239.04
IUPAC Namemethyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2ncn(N)c(=O)c2c1C
InChIInChI=1S/C9H9N3O3S/c1-4-5-7(11-3-12(10)8(5)13)16-6(4)9(14)15-2/h3H,10H2,1-2H3
InChIKeyWCCLAJTVNIHXKC-UHFFFAOYSA-N
XLogP0.27
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 655202
Ethyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 405802
Ethyl 3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxylate
CID 785253
Methyl 3-amino-2-{[1-(butylcarbamoyl)propyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-D]pyrimidine-6-carboxylate
CID 4420121
2-(diethylamino)-5-methyl-4-oxo-4H-thieno[2,3-d][1,3]oxazine-6-carboxamide
CID 10636536
Ethyl 1,4-dihydro-2,5-dimethyl-4-oxothieno(2,3-d)pyrimidine-6-carboxylate
CID 336248
5-Methyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester
CID 733576
Cyclohexyl 5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 735016
Isopropyl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 1178160
Ethyl 3-[2-(diethylamino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 1689084
Ethyl 3-[2-(butylamino)-2-oxoethyl]-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
CID 1689085

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 722597) is methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2ncn(N)c(=O)c2c1C.
What is the InChIKey of methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is WCCLAJTVNIHXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3S/c1-4-5-7(11-3-12(10)8(5)13)16-6(4)9(14)15-2/h3H,10H2,1-2H3.
What are the key properties of methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 239.26 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 722597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).