[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol

C16H21FN4O2 — CID 128991059

IUPAC[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C[C@@H]1C[C@H](F)CN1c1ccncn1
InChIInChI=1S/C16H21FN4O2/c1-20(9-14-2-3-15(10-22)23-14)8-13-6-12(17)7-21(13)16-4-5-18-11-19-16/h2-5,11-13,22H,6-10H2,1H3/t12-,13-/m0/s1
InChIKeySOBHHVGFDFHISC-STQMWFEESA-N
MW320.37 g/mol
LogP1.61
Rot. Bonds6

About [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol

[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol (PubChem CID 128991059) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
PubChem CID128991059
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C[C@@H]1C[C@H](F)CN1c1ccncn1
InChIInChI=1S/C16H21FN4O2/c1-20(9-14-2-3-15(10-22)23-14)8-13-6-12(17)7-21(13)16-4-5-18-11-19-16/h2-5,11-13,22H,6-10H2,1H3/t12-,13-/m0/s1
InChIKeySOBHHVGFDFHISC-STQMWFEESA-N
XLogP1.61
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol (CID 128991059) is [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol is CN(Cc1ccc(CO)o1)C[C@@H]1C[C@H](F)CN1c1ccncn1.
What is the InChIKey of [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
The InChIKey is SOBHHVGFDFHISC-STQMWFEESA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-20(9-14-2-3-15(10-22)23-14)8-13-6-12(17)7-21(13)16-4-5-18-11-19-16/h2-5,11-13,22H,6-10H2,1H3/t12-,13-/m0/s1.
What are the key properties of [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol?
[5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol has a molecular weight of 320.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2S,4S)-4-fluoro-1-pyrimidin-4-ylpyrrolidin-2-yl]methyl-methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 128991059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).