[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate

C15H14N4O3S — CID 7247414

IUPAC[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate
SMILESCc1sc2nc([C@@H](C)OC(=O)c3cnccn3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H14N4O3S/c1-7-9(3)23-14-11(7)13(20)18-12(19-14)8(2)22-15(21)10-6-16-4-5-17-10/h4-6,8H,1-3H3,(H,18,19,20)/t8-/m1/s1
InChIKeyPZWLWUKTCSRIEL-MRVPVSSYSA-N
MW330.37 g/mol
LogP2.31
Rot. Bonds3

About [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate

[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate (PubChem CID 7247414) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate
PubChem CID7247414
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate
SMILESCc1sc2nc([C@@H](C)OC(=O)c3cnccn3)[nH]c(=O)c2c1C
InChIInChI=1S/C15H14N4O3S/c1-7-9(3)23-14-11(7)13(20)18-12(19-14)8(2)22-15(21)10-6-16-4-5-17-10/h4-6,8H,1-3H3,(H,18,19,20)/t8-/m1/s1
InChIKeyPZWLWUKTCSRIEL-MRVPVSSYSA-N
XLogP2.31
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate?
The IUPAC name of [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate (CID 7247414) is [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate?
The canonical SMILES for [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate is Cc1sc2nc([C@@H](C)OC(=O)c3cnccn3)[nH]c(=O)c2c1C.
What is the InChIKey of [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate?
The InChIKey is PZWLWUKTCSRIEL-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-7-9(3)23-14-11(7)13(20)18-12(19-14)8(2)22-15(21)10-6-16-4-5-17-10/h4-6,8H,1-3H3,(H,18,19,20)/t8-/m1/s1.
What are the key properties of [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate?
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7247414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).