methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

C17H20N4O3S — CID 133312098

IUPACmethyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(NC(C)c3c(C)noc3C)c2c1C
InChIInChI=1S/C17H20N4O3S/c1-7-12-15(18-8(2)13-9(3)21-24-10(13)4)19-11(5)20-16(12)25-14(7)17(22)23-6/h8H,1-6H3,(H,18,19,20)
InChIKeyLXYOCSIMARKXFZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.87
Rot. Bonds4

About methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate

methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 133312098) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID133312098
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Namemethyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1sc2nc(C)nc(NC(C)c3c(C)noc3C)c2c1C
InChIInChI=1S/C17H20N4O3S/c1-7-12-15(18-8(2)13-9(3)21-24-10(13)4)19-11(5)20-16(12)25-14(7)17(22)23-6/h8H,1-6H3,(H,18,19,20)
InChIKeyLXYOCSIMARKXFZ-UHFFFAOYSA-N
XLogP3.87
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate (CID 133312098) is methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1sc2nc(C)nc(NC(C)c3c(C)noc3C)c2c1C.
What is the InChIKey of methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is LXYOCSIMARKXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-7-12-15(18-8(2)13-9(3)21-24-10(13)4)19-11(5)20-16(12)25-14(7)17(22)23-6/h8H,1-6H3,(H,18,19,20).
What are the key properties of methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate?
methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 360.44 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 133312098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).