2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone

C16H22N4O2 — CID 124788266

IUPAC2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C[C@@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1)N1CCCC1
InChIInChI=1S/C16H22N4O2/c21-15(19-6-1-2-7-19)9-13-8-12-10-20(11-14(12)22-13)16-17-4-3-5-18-16/h3-5,12-14H,1-2,6-11H2/t12-,13+,14+/m1/s1
InChIKeyZRJCDWOSLCSCGR-RDBSUJKOSA-N
MW302.38 g/mol
LogP1.08
Rot. Bonds3

About 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone

2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 124788266) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
PubChem CID124788266
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(C[C@@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1)N1CCCC1
InChIInChI=1S/C16H22N4O2/c21-15(19-6-1-2-7-19)9-13-8-12-10-20(11-14(12)22-13)16-17-4-3-5-18-16/h3-5,12-14H,1-2,6-11H2/t12-,13+,14+/m1/s1
InChIKeyZRJCDWOSLCSCGR-RDBSUJKOSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(oxazinan-2-yl)ethanone
CID 97474860
2-[(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
CID 97474888
2-[(2R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
CID 97476291
2-[(2R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97476302
2-[(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(2-methoxyethyl)acetamide
CID 97477067
2-[(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-morpholin-4-ylethanone
CID 97483270
(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97486587
2-[(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486713
2-[(2R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 97486805
2-[(2R,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-morpholin-4-ylethanone
CID 97486999
1-[[(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one
CID 124228469
2-[(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-morpholin-4-ylethanone
CID 124787642

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone (CID 124788266) is 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone is O=C(C[C@@H]1C[C@@H]2CN(c3ncccn3)C[C@@H]2O1)N1CCCC1.
What is the InChIKey of 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZRJCDWOSLCSCGR-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(19-6-1-2-7-19)9-13-8-12-10-20(11-14(12)22-13)16-17-4-3-5-18-16/h3-5,12-14H,1-2,6-11H2/t12-,13+,14+/m1/s1.
What are the key properties of 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone?
2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 302.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aR,6aR)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 124788266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).