methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate

C15H14N4O2S — CID 68753218

IUPACmethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2cccnc2)nc2ccsc12
InChIInChI=1S/C15H14N4O2S/c1-9(10-4-3-6-16-8-10)17-15-18-11-5-7-22-13(11)12(19-15)14(20)21-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeySOKWEVFYKXDFJV-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.05
Rot. Bonds4

About methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate

methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate (PubChem CID 68753218) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
PubChem CID68753218
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Namemethyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(NC(C)c2cccnc2)nc2ccsc12
InChIInChI=1S/C15H14N4O2S/c1-9(10-4-3-6-16-8-10)17-15-18-11-5-7-22-13(11)12(19-15)14(20)21-2/h3-9H,1-2H3,(H,17,18,19)
InChIKeySOKWEVFYKXDFJV-UHFFFAOYSA-N
XLogP3.05
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate (CID 68753218) is methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate is COC(=O)c1nc(NC(C)c2cccnc2)nc2ccsc12.
What is the InChIKey of methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
The InChIKey is SOKWEVFYKXDFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9(10-4-3-6-16-8-10)17-15-18-11-5-7-22-13(11)12(19-15)14(20)21-2/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate?
methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 68753218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).