[6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone

C11H14F3N5O — CID 67628821

IUPAC[6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone
SMILESNCc1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10-17-7(6-15)5-8(18-10)9(20)19-3-1-16-2-4-19/h5,16H,1-4,6,15H2
InChIKeyNSBPHWYROZSKOY-UHFFFAOYSA-N
MW289.26 g/mol
LogP-0.00
Rot. Bonds2

About [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone

[6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone (PubChem CID 67628821) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone
PubChem CID67628821
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name[6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone
SMILESNCc1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10-17-7(6-15)5-8(18-10)9(20)19-3-1-16-2-4-19/h5,16H,1-4,6,15H2
InChIKeyNSBPHWYROZSKOY-UHFFFAOYSA-N
XLogP-0.00
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone (CID 67628821) is [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone is NCc1cc(C(=O)N2CCNCC2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is NSBPHWYROZSKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)10-17-7(6-15)5-8(18-10)9(20)19-3-1-16-2-4-19/h5,16H,1-4,6,15H2.
What are the key properties of [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone?
[6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 289.26 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2-(trifluoromethyl)pyrimidin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 67628821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).