[1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C17H26F3N5O — CID 133486679

IUPAC[1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2CCN(CC(F)(F)F)CC2)ncn1
InChIInChI=1S/C17H26F3N5O/c18-17(19,20)11-24-6-3-13(4-7-24)9-21-15-8-16(23-12-22-15)25-5-1-2-14(25)10-26/h8,12-14,26H,1-7,9-11H2,(H,21,22,23)
InChIKeyJCZZJMBHLNIPTA-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.12
Rot. Bonds6

About [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133486679) has the molecular formula C17H26F3N5O and a molecular weight of 373.42 g/mol. Its IUPAC name is [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133486679
Molecular FormulaC17H26F3N5O
Molecular Weight373.42 g/mol
Exact Mass373.21
IUPAC Name[1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(NCC2CCN(CC(F)(F)F)CC2)ncn1
InChIInChI=1S/C17H26F3N5O/c18-17(19,20)11-24-6-3-13(4-7-24)9-21-15-8-16(23-12-22-15)25-5-1-2-14(25)10-26/h8,12-14,26H,1-7,9-11H2,(H,21,22,23)
InChIKeyJCZZJMBHLNIPTA-UHFFFAOYSA-N
XLogP2.12
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
[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-[[6-[(1-Cyclopentylpiperidin-4-yl)methylamino]pyrimidin-4-yl]amino]ethanol
CID 132412995
2-[[4-(Hydroxymethyl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 168457007
2-[[6-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
CID 171358918
2-[[6-(3-Methylpiperidin-1-yl)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 171359339
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
2-[[2-Amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359916
2-[[6-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359940
[(2S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol;6-(3,3-difluoropiperidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 160729314

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133486679) is [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(NCC2CCN(CC(F)(F)F)CC2)ncn1.
What is the InChIKey of [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is JCZZJMBHLNIPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5O/c18-17(19,20)11-24-6-3-13(4-7-24)9-21-15-8-16(23-12-22-15)25-5-1-2-14(25)10-26/h8,12-14,26H,1-7,9-11H2,(H,21,22,23).
What are the key properties of [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 373.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).