methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate

C16H18N4O3S — CID 133355407

IUPACmethyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1N1CCC(Nc2nc(C)cc(C)n2)C1=O
InChIInChI=1S/C16H18N4O3S/c1-9-8-10(2)18-16(17-9)19-12-4-6-20(13(12)21)14-11(5-7-24-14)15(22)23-3/h5,7-8,12H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyRJYCKPQVDWPDCK-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate

methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (PubChem CID 133355407) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
PubChem CID133355407
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Namemethyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1N1CCC(Nc2nc(C)cc(C)n2)C1=O
InChIInChI=1S/C16H18N4O3S/c1-9-8-10(2)18-16(17-9)19-12-4-6-20(13(12)21)14-11(5-7-24-14)15(22)23-3/h5,7-8,12H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyRJYCKPQVDWPDCK-UHFFFAOYSA-N
XLogP2.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate (CID 133355407) is methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is COC(=O)c1ccsc1N1CCC(Nc2nc(C)cc(C)n2)C1=O.
What is the InChIKey of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
The InChIKey is RJYCKPQVDWPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-9-8-10(2)18-16(17-9)19-12-4-6-20(13(12)21)14-11(5-7-24-14)15(22)23-3/h5,7-8,12H,4,6H2,1-3H3,(H,17,18,19).
What are the key properties of methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate?
methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate has a molecular weight of 346.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate is sourced from PubChem (CID 133355407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).