[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C14H21F3N4O2 — CID 95764024

IUPAC[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESC[C@@H](COCC(F)(F)F)Nc1cc(N2CCC[C@@H]2CO)ncn1
InChIInChI=1S/C14H21F3N4O2/c1-10(7-23-8-14(15,16)17)20-12-5-13(19-9-18-12)21-4-2-3-11(21)6-22/h5,9-11,22H,2-4,6-8H2,1H3,(H,18,19,20)/t10-,11+/m0/s1
InChIKeyYWSPNGRUWCVWMD-WDEREUQCSA-N
MW334.34 g/mol
LogP1.82
Rot. Bonds7

About [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95764024) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95764024
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESC[C@@H](COCC(F)(F)F)Nc1cc(N2CCC[C@@H]2CO)ncn1
InChIInChI=1S/C14H21F3N4O2/c1-10(7-23-8-14(15,16)17)20-12-5-13(19-9-18-12)21-4-2-3-11(21)6-22/h5,9-11,22H,2-4,6-8H2,1H3,(H,18,19,20)/t10-,11+/m0/s1
InChIKeyYWSPNGRUWCVWMD-WDEREUQCSA-N
XLogP1.82
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]propyl]ethanesulfonamide
CID 72144558
N-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]propyl]-N-methylmethanesulfonamide
CID 72144611
(3R,5R)-5-(aminomethyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol dihydrochloride
CID 145912990
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
[1-[6-(1-Morpholin-4-ylpropan-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144609
1-[4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 95763910
2-[[4-(Hydroxymethyl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 168457007
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
[1-[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 53600497
[1-[6-[1-(2,2,2-Trifluoroethoxy)propan-2-ylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144562
[1-[6-[[1-(2,2,2-Trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144568
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80793920

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95764024) is [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is C[C@@H](COCC(F)(F)F)Nc1cc(N2CCC[C@@H]2CO)ncn1.
What is the InChIKey of [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is YWSPNGRUWCVWMD-WDEREUQCSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-10(7-23-8-14(15,16)17)20-12-5-13(19-9-18-12)21-4-2-3-11(21)6-22/h5,9-11,22H,2-4,6-8H2,1H3,(H,18,19,20)/t10-,11+/m0/s1.
What are the key properties of [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 334.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95764024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).