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

C16H24F3N5O — CID 133431422

IUPAC[1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCC1CN(c2cc(N3CCCC3CO)ncn2)CCN1CC(F)(F)F
InChIInChI=1S/C16H24F3N5O/c1-12-8-22(5-6-23(12)10-16(17,18)19)14-7-15(21-11-20-14)24-4-2-3-13(24)9-25/h7,11-13,25H,2-6,8-10H2,1H3
InChIKeyJRPMRUVPGDUBDE-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.51
Rot. Bonds4

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

[1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 133431422) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID133431422
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name[1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCC1CN(c2cc(N3CCCC3CO)ncn2)CCN1CC(F)(F)F
InChIInChI=1S/C16H24F3N5O/c1-12-8-22(5-6-23(12)10-16(17,18)19)14-7-15(21-11-20-14)24-4-2-3-13(24)9-25/h7,11-13,25H,2-6,8-10H2,1H3
InChIKeyJRPMRUVPGDUBDE-UHFFFAOYSA-N
XLogP1.51
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[6-(4-Cyclopentyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144564
[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 72144614
2-(Dimethylamino)-1-[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 72144617
[1-[6-(4-Methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144657
2-[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylacetamide
CID 72144667
(3R,5R)-5-((dimethylamino)methyl)-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 165738809
[1-[6-(1-Morpholin-4-ylpropan-2-ylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144609
[(2R)-1-[6-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 164632775
2-[[6-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359940
[1-[2-[(Z)-1-[5-(difluoromethyl)-2H-pyrazin-1-yl]-2-(methylideneamino)ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 139358554
[1-[2-[(Z)-2-(methylideneamino)-1-[5-(trifluoromethyl)-2H-pyrazin-1-yl]ethenyl]pyrimidin-4-yl]piperidin-2-yl]methanol
CID 153331007

Frequently Asked Questions

What is the IUPAC name of [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 133431422) is [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CC1CN(c2cc(N3CCCC3CO)ncn2)CCN1CC(F)(F)F.
What is the InChIKey of [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is JRPMRUVPGDUBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N5O/c1-12-8-22(5-6-23(12)10-16(17,18)19)14-7-15(21-11-20-14)24-4-2-3-13(24)9-25/h7,11-13,25H,2-6,8-10H2,1H3.
What are the key properties of [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 359.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133431422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).