[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol

C15H21N5O — CID 155500671

IUPAC[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)c1nccc(-c2nccn2[C@@H]2CN[C@@H](CO)C2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)14-16-4-3-13(19-14)15-17-5-6-20(15)12-7-11(9-21)18-8-12/h3-6,10-12,18,21H,7-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyDZENAGYGFBZSLZ-NEPJUHHUSA-N
MW287.37 g/mol
LogP1.36
Rot. Bonds4

About [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol

[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol (PubChem CID 155500671) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
PubChem CID155500671
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCC(C)c1nccc(-c2nccn2[C@@H]2CN[C@@H](CO)C2)n1
InChIInChI=1S/C15H21N5O/c1-10(2)14-16-4-3-13(19-14)15-17-5-6-20(15)12-7-11(9-21)18-8-12/h3-6,10-12,18,21H,7-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyDZENAGYGFBZSLZ-NEPJUHHUSA-N
XLogP1.36
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol (CID 155500671) is [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol is CC(C)c1nccc(-c2nccn2[C@@H]2CN[C@@H](CO)C2)n1.
What is the InChIKey of [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The InChIKey is DZENAGYGFBZSLZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)14-16-4-3-13(19-14)15-17-5-6-20(15)12-7-11(9-21)18-8-12/h3-6,10-12,18,21H,7-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
[(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol has a molecular weight of 287.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-[2-(2-propan-2-ylpyrimidin-4-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155500671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).