[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C15H22F3N5O — CID 95764041

IUPAC[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)9-22-5-3-11(7-22)21-13-6-14(20-10-19-13)23-4-1-2-12(23)8-24/h6,10-12,24H,1-5,7-9H2,(H,19,20,21)/t11-,12-/m1/s1
InChIKeyFAGVUZLBJBASSP-VXGBXAGGSA-N
MW345.37 g/mol
LogP1.49
Rot. Bonds5

About [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 95764041) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID95764041
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC Name[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)ncn1
InChIInChI=1S/C15H22F3N5O/c16-15(17,18)9-22-5-3-11(7-22)21-13-6-14(20-10-19-13)23-4-1-2-12(23)8-24/h6,10-12,24H,1-5,7-9H2,(H,19,20,21)/t11-,12-/m1/s1
InChIKeyFAGVUZLBJBASSP-VXGBXAGGSA-N
XLogP1.49
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

4-[[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 95763811
[(2R)-1-[6-[[(3R)-oxan-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95758167
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[(2R)-1-[6-[[(1S,2R)-2-methylcyclopropyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764095
6-propan-2-yl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 126724510
[1-[6-[[1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133325726
1-methyl-4-[6-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]piperazin-2-one
CID 133464234
3-fluoro-4-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]benzonitrile
CID 133296310
[1-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133399563
2-[ethyl-[3-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]cyclobutyl]amino]acetic acid
CID 122062125
(2R)-2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]butan-1-ol
CID 133434749
[1-[6-[(1-methylcyclopentyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133293728

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 95764041) is [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1c1cc(N[C@@H]2CCN(CC(F)(F)F)C2)ncn1.
What is the InChIKey of [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is FAGVUZLBJBASSP-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22F3N5O/c16-15(17,18)9-22-5-3-11(7-22)21-13-6-14(20-10-19-13)23-4-1-2-12(23)8-24/h6,10-12,24H,1-5,7-9H2,(H,19,20,21)/t11-,12-/m1/s1.
What are the key properties of [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 345.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[6-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95764041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).