N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine

C13H19F3N4 — CID 71978664

IUPACN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
SMILESFC(F)(F)CN1CCC(CCNc2ncccn2)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-20-8-3-11(4-9-20)2-7-19-12-17-5-1-6-18-12/h1,5-6,11H,2-4,7-10H2,(H,17,18,19)
InChIKeyJGVMOLBDXWGXDC-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.55
Rot. Bonds5

About N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine (PubChem CID 71978664) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
PubChem CID71978664
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
SMILESFC(F)(F)CN1CCC(CCNc2ncccn2)CC1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-20-8-3-11(4-9-20)2-7-19-12-17-5-1-6-18-12/h1,5-6,11H,2-4,7-10H2,(H,17,18,19)
InChIKeyJGVMOLBDXWGXDC-UHFFFAOYSA-N
XLogP2.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
[4-(2-Dipropylamino-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine
CID 10756932
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
2-(Piperidin-1-yl)pyrimidine
CID 11446518
Pyrimidine, 2-hexylamino-
CID 53318062
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 162669973
2-Pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233309
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine?
The IUPAC name of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine (CID 71978664) is N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine is FC(F)(F)CN1CCC(CCNc2ncccn2)CC1.
What is the InChIKey of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine?
The InChIKey is JGVMOLBDXWGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)10-20-8-3-11(4-9-20)2-7-19-12-17-5-1-6-18-12/h1,5-6,11H,2-4,7-10H2,(H,17,18,19).
What are the key properties of N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine?
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine has a molecular weight of 288.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 71978664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).