methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate

C15H15N3O3S — CID 136548243

IUPACmethyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Cn2ccn3c(=O)cc(C)nc23)c(C)s1
InChIInChI=1S/C15H15N3O3S/c1-9-6-13(19)18-5-4-17(15(18)16-9)8-11-7-12(14(20)21-3)22-10(11)2/h4-7H,8H2,1-3H3
InChIKeyWOXNSYBMCWPXDW-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.01
Rot. Bonds3

About methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate

methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate (PubChem CID 136548243) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate
PubChem CID136548243
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Namemethyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(Cn2ccn3c(=O)cc(C)nc23)c(C)s1
InChIInChI=1S/C15H15N3O3S/c1-9-6-13(19)18-5-4-17(15(18)16-9)8-11-7-12(14(20)21-3)22-10(11)2/h4-7H,8H2,1-3H3
InChIKeyWOXNSYBMCWPXDW-UHFFFAOYSA-N
XLogP2.01
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate (CID 136548243) is methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate is COC(=O)c1cc(Cn2ccn3c(=O)cc(C)nc23)c(C)s1.
What is the InChIKey of methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate?
The InChIKey is WOXNSYBMCWPXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-6-13(19)18-5-4-17(15(18)16-9)8-11-7-12(14(20)21-3)22-10(11)2/h4-7H,8H2,1-3H3.
What are the key properties of methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate?
methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-[(7-methyl-5-oxoimidazo[1,2-a]pyrimidin-1-yl)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 136548243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).