[(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol

C11H16FN3O — CID 128979488

IUPAC[(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1cc(C)nc(N2C[C@@H](F)C[C@H]2CO)n1
InChIInChI=1S/C11H16FN3O/c1-7-3-8(2)14-11(13-7)15-5-9(12)4-10(15)6-16/h3,9-10,16H,4-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyWADNGTJNHXNGFF-UWVGGRQHSA-N
MW225.27 g/mol
LogP1.00
Rot. Bonds2

About [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol

[(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol (PubChem CID 128979488) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol
PubChem CID128979488
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name[(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol
SMILESCc1cc(C)nc(N2C[C@@H](F)C[C@H]2CO)n1
InChIInChI=1S/C11H16FN3O/c1-7-3-8(2)14-11(13-7)15-5-9(12)4-10(15)6-16/h3,9-10,16H,4-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyWADNGTJNHXNGFF-UWVGGRQHSA-N
XLogP1.00
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol (CID 128979488) is [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol is Cc1cc(C)nc(N2C[C@@H](F)C[C@H]2CO)n1.
What is the InChIKey of [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
The InChIKey is WADNGTJNHXNGFF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7-3-8(2)14-11(13-7)15-5-9(12)4-10(15)6-16/h3,9-10,16H,4-6H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol?
[(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol has a molecular weight of 225.27 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(4,6-dimethylpyrimidin-2-yl)-4-fluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 128979488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).