methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate

C12H13N3O4S — CID 60628973

IUPACmethyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C12H13N3O4S/c1-6-8-10(17)14-5-15-12(8)20-9(6)11(18)13-4-3-7(16)19-2/h5H,3-4H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyOBOHPEUVYVNUAQ-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.59
Rot. Bonds4

About methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate

methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate (PubChem CID 60628973) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
PubChem CID60628973
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Namemethyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1sc2nc[nH]c(=O)c2c1C
InChIInChI=1S/C12H13N3O4S/c1-6-8-10(17)14-5-15-12(8)20-9(6)11(18)13-4-3-7(16)19-2/h5H,3-4H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyOBOHPEUVYVNUAQ-UHFFFAOYSA-N
XLogP0.59
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 106242685
N-[2-(4-methoxyphenyl)sulfonylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46974358
5-methyl-4-oxo-N-[2-(triazol-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 121499141
methyl 3-[[4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]propanoate
CID 26400112
5-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 46978339
2-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoic acid
CID 39164975
N-(1,3-dihydroxypropan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 65312350
N-(2-indol-1-ylethyl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 71706303
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240
N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 64556977
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 126433174

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate (CID 60628973) is methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1sc2nc[nH]c(=O)c2c1C.
What is the InChIKey of methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate?
The InChIKey is OBOHPEUVYVNUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-6-8-10(17)14-5-15-12(8)20-9(6)11(18)13-4-3-7(16)19-2/h5H,3-4H2,1-2H3,(H,13,18)(H,14,15,17).
What are the key properties of methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate?
methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate has a molecular weight of 295.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]propanoate is sourced from PubChem (CID 60628973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).