N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine

C13H19F3N4O — CID 67954613

IUPACN-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-8-9-7-11(20-12(19-9)13(14,15)16)21-10-3-5-18-6-4-10/h7,10,17-18H,2-6,8H2,1H3
InChIKeyXKSAJRMZRSCSBM-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.74
Rot. Bonds5

About N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine

N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 67954613) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID67954613
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-8-9-7-11(20-12(19-9)13(14,15)16)21-10-3-5-18-6-4-10/h7,10,17-18H,2-6,8H2,1H3
InChIKeyXKSAJRMZRSCSBM-UHFFFAOYSA-N
XLogP1.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Cyclohexyl-piperazin-1-yl)-4-ethoxy-6-methyl-pyrimidine
CID 656154
Ethanamine, 2-((2,6-dimethyl-4-pyrimidinyl)oxy)-N,N-dimethyl-, hydrochloride (1:1)
CID 51293
Ethanamine, N,N-diethyl-2-((2,6-dimethyl-4-pyrimidinyl)oxy)-, monohydrochloride
CID 51295
4-(3-Methyl-propoxy)-2-isopropylamino-6-methyl pyrimidine
CID 58336918
4-(difluoromethoxy)-N-ethyl-6-methyl-2-pyrimidinamine
CID 759816
2,4-Dimethyl-6-{[1-(pyrrolidine-1-sulfonyl)piperidin-4-yl]oxy}pyrimidine
CID 121017952
6-ethoxy-N-[1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 137887968
4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine hydrochloride
CID 11623348
4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine
CID 11623349
2-Methylamino-4-(2,2,2-trifluorethoxy)-6-methylpyrimidine
CID 20189867
4-Methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
CID 58257072
1-[[6-Piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]azetidin-3-ol
CID 67954175

Frequently Asked Questions

What is the IUPAC name of N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine (CID 67954613) is N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(OC2CCNCC2)nc(C(F)(F)F)n1.
What is the InChIKey of N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is XKSAJRMZRSCSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-17-8-9-7-11(20-12(19-9)13(14,15)16)21-10-3-5-18-6-4-10/h7,10,17-18H,2-6,8H2,1H3.
What are the key properties of N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 304.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 67954613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).