methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate

C20H28N4O2S — CID 11315242

IUPACmethyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cc1C
InChIInChI=1S/C20H28N4O2S/c1-12-9-15(27-16(12)17(25)26-6)14-7-8-21-18(23-14)22-13-10-19(2,3)24-20(4,5)11-13/h7-9,13,24H,10-11H2,1-6H3,(H,21,22,23)
InChIKeyHYKBPZYCWGTOOJ-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.02
Rot. Bonds4

About methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate

methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate (PubChem CID 11315242) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate
PubChem CID11315242
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Namemethyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cc1C
InChIInChI=1S/C20H28N4O2S/c1-12-9-15(27-16(12)17(25)26-6)14-7-8-21-18(23-14)22-13-10-19(2,3)24-20(4,5)11-13/h7-9,13,24H,10-11H2,1-6H3,(H,21,22,23)
InChIKeyHYKBPZYCWGTOOJ-UHFFFAOYSA-N
XLogP4.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate (CID 11315242) is methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate is COC(=O)c1sc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate?
The InChIKey is HYKBPZYCWGTOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-12-9-15(27-16(12)17(25)26-6)14-7-8-21-18(23-14)22-13-10-19(2,3)24-20(4,5)11-13/h7-9,13,24H,10-11H2,1-6H3,(H,21,22,23).
What are the key properties of methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate?
methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate has a molecular weight of 388.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carboxylate is sourced from PubChem (CID 11315242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).