[(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone

C15H21N5O4S — CID 70742817

IUPAC[(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21
InChIInChI=1S/C15H21N5O4S/c21-15(18-6-8-24-9-7-18)20-5-4-19(14-16-2-1-3-17-14)12-10-25(22,23)11-13(12)20/h1-3,12-13H,4-11H2/t12-,13+/m1/s1
InChIKeyGPHLNQRWJIWFPI-OLZOCXBDSA-N
MW367.43 g/mol
LogP-0.78
Rot. Bonds1

About [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone

[(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone (PubChem CID 70742817) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone
PubChem CID70742817
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name[(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21
InChIInChI=1S/C15H21N5O4S/c21-15(18-6-8-24-9-7-18)20-5-4-19(14-16-2-1-3-17-14)12-10-25(22,23)11-13(12)20/h1-3,12-13H,4-11H2/t12-,13+/m1/s1
InChIKeyGPHLNQRWJIWFPI-OLZOCXBDSA-N
XLogP-0.78
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone (CID 70742817) is [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(c2ncccn2)[C@@H]2CS(=O)(=O)C[C@@H]21.
What is the InChIKey of [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is GPHLNQRWJIWFPI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N5O4S/c21-15(18-6-8-24-9-7-18)20-5-4-19(14-16-2-1-3-17-14)12-10-25(22,23)11-13(12)20/h1-3,12-13H,4-11H2/t12-,13+/m1/s1.
What are the key properties of [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone?
[(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 367.43 g/mol, XLogP of -0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-6,6-dioxo-1-pyrimidin-2-yl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70742817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).