[(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone

C15H21N5O2 — CID 133119479

IUPAC[(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[C@@H]2CN(c3ncccn3)C[C@@H]21
InChIInChI=1S/C15H21N5O2/c21-15(18-6-8-22-9-7-18)20-5-2-12-10-19(11-13(12)20)14-16-3-1-4-17-14/h1,3-4,12-13H,2,5-11H2/t12-,13+/m1/s1
InChIKeyNUYBGUUTHMSFSR-OLZOCXBDSA-N
MW303.37 g/mol
LogP0.44
Rot. Bonds1

About [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone

[(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone (PubChem CID 133119479) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone
PubChem CID133119479
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC[C@@H]2CN(c3ncccn3)C[C@@H]21
InChIInChI=1S/C15H21N5O2/c21-15(18-6-8-22-9-7-18)20-5-2-12-10-19(11-13(12)20)14-16-3-1-4-17-14/h1,3-4,12-13H,2,5-11H2/t12-,13+/m1/s1
InChIKeyNUYBGUUTHMSFSR-OLZOCXBDSA-N
XLogP0.44
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone (CID 133119479) is [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC[C@@H]2CN(c3ncccn3)C[C@@H]21.
What is the InChIKey of [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is NUYBGUUTHMSFSR-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-15(18-6-8-22-9-7-18)20-5-2-12-10-19(11-13(12)20)14-16-3-1-4-17-14/h1,3-4,12-13H,2,5-11H2/t12-,13+/m1/s1.
What are the key properties of [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone?
[(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 303.37 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133119479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).