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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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).