pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone

C16H22F3N5O — CID 56884515

IUPACpyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone
SMILESO=C(C1CN(c2nccc(CCC(F)(F)F)n2)CCN1)N1CCCC1
InChIInChI=1S/C16H22F3N5O/c17-16(18,19)5-3-12-4-6-21-15(22-12)24-10-7-20-13(11-24)14(25)23-8-1-2-9-23/h4,6,13,20H,1-3,5,7-11H2
InChIKeyHLYKDYCCMOAVLP-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.37
Rot. Bonds4

About pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone

pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone (PubChem CID 56884515) has the molecular formula C16H22F3N5O and a molecular weight of 357.38 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone
PubChem CID56884515
Molecular FormulaC16H22F3N5O
Molecular Weight357.38 g/mol
Exact Mass357.18
IUPAC Namepyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone
SMILESO=C(C1CN(c2nccc(CCC(F)(F)F)n2)CCN1)N1CCCC1
InChIInChI=1S/C16H22F3N5O/c17-16(18,19)5-3-12-4-6-21-15(22-12)24-10-7-20-13(11-24)14(25)23-8-1-2-9-23/h4,6,13,20H,1-3,5,7-11H2
InChIKeyHLYKDYCCMOAVLP-UHFFFAOYSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
1-[2-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110267170
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
1-[3-[2-Methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 110270125
1-[2-[3-[(4,6-Dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270538
1-[3-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740405

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone (CID 56884515) is pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone is O=C(C1CN(c2nccc(CCC(F)(F)F)n2)CCN1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone?
The InChIKey is HLYKDYCCMOAVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N5O/c17-16(18,19)5-3-12-4-6-21-15(22-12)24-10-7-20-13(11-24)14(25)23-8-1-2-9-23/h4,6,13,20H,1-3,5,7-11H2.
What are the key properties of pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone?
pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone has a molecular weight of 357.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-yl]methanone is sourced from PubChem (CID 56884515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).