N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine

C15H23FN4O — CID 124823961

IUPACN-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12
InChIInChI=1S/C15H23FN4O/c1-3-19(4-2)7-11-10-21-14-9-20(8-13(11)14)15-17-5-12(16)6-18-15/h5-6,11,13-14H,3-4,7-10H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyDPRPIGWHHROKTE-XBFCOCLRSA-N
MW294.37 g/mol
LogP1.41
Rot. Bonds5

About N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine

N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine (PubChem CID 124823961) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine
PubChem CID124823961
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)C[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12
InChIInChI=1S/C15H23FN4O/c1-3-19(4-2)7-11-10-21-14-9-20(8-13(11)14)15-17-5-12(16)6-18-15/h5-6,11,13-14H,3-4,7-10H2,1-2H3/t11-,13+,14+/m1/s1
InChIKeyDPRPIGWHHROKTE-XBFCOCLRSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine (CID 124823961) is N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine is CCN(CC)C[C@@H]1CO[C@H]2CN(c3ncc(F)cn3)C[C@@H]12.
What is the InChIKey of N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine?
The InChIKey is DPRPIGWHHROKTE-XBFCOCLRSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-3-19(4-2)7-11-10-21-14-9-20(8-13(11)14)15-17-5-12(16)6-18-15/h5-6,11,13-14H,3-4,7-10H2,1-2H3/t11-,13+,14+/m1/s1.
What are the key properties of N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine?
N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine has a molecular weight of 294.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 124823961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).