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

C15H15N5O3S — CID 7536386

IUPAC[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
SMILESCc1sc2nc([C@H](C)OC(=O)c3nccnc3N)[nH]c(=O)c2c1C
InChIInChI=1S/C15H15N5O3S/c1-6-8(3)24-14-9(6)13(21)19-12(20-14)7(2)23-15(22)10-11(16)18-5-4-17-10/h4-5,7H,1-3H3,(H2,16,18)(H,19,20,21)/t7-/m0/s1
InChIKeyXAVULRADMOSTAH-ZETCQYMHSA-N
MW345.38 g/mol
LogP1.89
Rot. Bonds3

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

[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate (PubChem CID 7536386) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
PubChem CID7536386
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate
SMILESCc1sc2nc([C@H](C)OC(=O)c3nccnc3N)[nH]c(=O)c2c1C
InChIInChI=1S/C15H15N5O3S/c1-6-8(3)24-14-9(6)13(21)19-12(20-14)7(2)23-15(22)10-11(16)18-5-4-17-10/h4-5,7H,1-3H3,(H2,16,18)(H,19,20,21)/t7-/m0/s1
InChIKeyXAVULRADMOSTAH-ZETCQYMHSA-N
XLogP1.89
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl pyrimidine-4-carboxylate
CID 166226782
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-fluorobenzoate
CID 7374633
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 7541745
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7247386
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-amino-4-chlorobenzoate
CID 7595155
1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2-chlorobenzoate
CID 16539844
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3,4-dimethylbenzoate
CID 7761563
1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 3,4-dimethoxybenzoate
CID 16525009
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7858097
1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 2,5-dimethylbenzoate
CID 16523671
[(1R)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2-methylfuran-3-carboxylate
CID 7530697
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 2,5-dimethylbenzoate
CID 7247441

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate (CID 7536386) is [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate is Cc1sc2nc([C@H](C)OC(=O)c3nccnc3N)[nH]c(=O)c2c1C.
What is the InChIKey of [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate?
The InChIKey is XAVULRADMOSTAH-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-6-8(3)24-14-9(6)13(21)19-12(20-14)7(2)23-15(22)10-11(16)18-5-4-17-10/h4-5,7H,1-3H3,(H2,16,18)(H,19,20,21)/t7-/m0/s1.
What are the key properties of [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate?
[(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate has a molecular weight of 345.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 7536386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).