methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate

C12H11N3O4S — CID 121167403

IUPACmethyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(OC)ncn1
InChIInChI=1S/C12H11N3O4S/c1-18-9-5-8(13-6-14-9)11(16)15-7-3-4-20-10(7)12(17)19-2/h3-6H,1-2H3,(H,15,16)
InChIKeySWVJAPPJUHUYSY-UHFFFAOYSA-N
MW293.30 g/mol
LogP1.59
Rot. Bonds4

About methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 121167403) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
PubChem CID121167403
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Namemethyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(OC)ncn1
InChIInChI=1S/C12H11N3O4S/c1-18-9-5-8(13-6-14-9)11(16)15-7-3-4-20-10(7)12(17)19-2/h3-6H,1-2H3,(H,15,16)
InChIKeySWVJAPPJUHUYSY-UHFFFAOYSA-N
XLogP1.59
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 107371771
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320
N-(5-acetamido-2-methoxyphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167268
N-(3,5-dimethylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167280
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167291
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate (CID 121167403) is methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cc(OC)ncn1.
What is the InChIKey of methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is SWVJAPPJUHUYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-18-9-5-8(13-6-14-9)11(16)15-7-3-4-20-10(7)12(17)19-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 121167403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).