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

C13H19FN4O — CID 97420473

IUPAC1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4O/c1-17(2)7-13-8-18(5-10(13)6-19-9-13)12-15-3-11(14)4-16-12/h3-4,10H,5-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyNHLCZKVASPLRFJ-MFKMUULPSA-N
MW266.32 g/mol
LogP0.63
Rot. Bonds3

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

1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine (PubChem CID 97420473) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
PubChem CID97420473
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4O/c1-17(2)7-13-8-18(5-10(13)6-19-9-13)12-15-3-11(14)4-16-12/h3-4,10H,5-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyNHLCZKVASPLRFJ-MFKMUULPSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

N-[[(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
CID 97420609
N-[[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methoxyacetamide
CID 97420627
2-(5-Fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
CID 97472501
2-(Oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 118745288
(3aS,6aR)-2-(oxolan-3-ylmethyl)-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 127023585
2-[[(3R,3aS,6aR)-1-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
CID 134689219
2-[[1-(3-Fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
CID 134533841
(1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl)methanol
CID 71650035
2-Chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 79076006
5-Fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844287
5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80845046
N-ethyl-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80845049

Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine (CID 97420473) is 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine is CN(C)C[C@]12COC[C@H]1CN(c1ncc(F)cn1)C2.
What is the InChIKey of 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine?
The InChIKey is NHLCZKVASPLRFJ-MFKMUULPSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-17(2)7-13-8-18(5-10(13)6-19-9-13)12-15-3-11(14)4-16-12/h3-4,10H,5-9H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine?
1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine has a molecular weight of 266.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 97420473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).