[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C16H21F3N6O — CID 164632775

IUPAC[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(Cc1nccn1CC(F)(F)F)c1cc(N2CCC[C@@H]2CO)ncn1
InChIInChI=1S/C16H21F3N6O/c1-23(8-15-20-4-6-24(15)10-16(17,18)19)13-7-14(22-11-21-13)25-5-2-3-12(25)9-26/h4,6-7,11-12,26H,2-3,5,8-10H2,1H3/t12-/m1/s1
InChIKeyRSNQLARYXGHJOS-GFCCVEGCSA-N
MW370.38 g/mol
LogP1.83
Rot. Bonds6

About [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 164632775) has the molecular formula C16H21F3N6O and a molecular weight of 370.38 g/mol. Its IUPAC name is [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID164632775
Molecular FormulaC16H21F3N6O
Molecular Weight370.38 g/mol
Exact Mass370.17
IUPAC Name[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCN(Cc1nccn1CC(F)(F)F)c1cc(N2CCC[C@@H]2CO)ncn1
InChIInChI=1S/C16H21F3N6O/c1-23(8-15-20-4-6-24(15)10-16(17,18)19)13-7-14(22-11-21-13)25-5-2-3-12(25)9-26/h4,6-7,11-12,26H,2-3,5,8-10H2,1H3/t12-/m1/s1
InChIKeyRSNQLARYXGHJOS-GFCCVEGCSA-N
XLogP1.83
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 164632775) is [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CN(Cc1nccn1CC(F)(F)F)c1cc(N2CCC[C@@H]2CO)ncn1.
What is the InChIKey of [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is RSNQLARYXGHJOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21F3N6O/c1-23(8-15-20-4-6-24(15)10-16(17,18)19)13-7-14(22-11-21-13)25-5-2-3-12(25)9-26/h4,6-7,11-12,26H,2-3,5,8-10H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 370.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 164632775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).