2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide

C15H21FN4O3 — CID 97420928

IUPAC2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H21FN4O3/c1-19(2)13(21)7-23-10-15-8-20(5-11(15)6-22-9-15)14-17-3-12(16)4-18-14/h3-4,11H,5-10H2,1-2H3/t11-,15+/m1/s1
InChIKeyHDJUNJYHOHZXFG-ABAIWWIYSA-N
MW324.36 g/mol
LogP0.17
Rot. Bonds5

About 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide

2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 97420928) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
PubChem CID97420928
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C15H21FN4O3/c1-19(2)13(21)7-23-10-15-8-20(5-11(15)6-22-9-15)14-17-3-12(16)4-18-14/h3-4,11H,5-10H2,1-2H3/t11-,15+/m1/s1
InChIKeyHDJUNJYHOHZXFG-ABAIWWIYSA-N
XLogP0.17
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide (CID 97420928) is 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COC[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is HDJUNJYHOHZXFG-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-19(2)13(21)7-23-10-15-8-20(5-11(15)6-22-9-15)14-17-3-12(16)4-18-14/h3-4,11H,5-10H2,1-2H3/t11-,15+/m1/s1.
What are the key properties of 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide?
2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 324.36 g/mol, XLogP of 0.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 97420928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).