[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone

C11H15F3N4O — CID 155260534

IUPAC[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone
SMILESCN1CC=C(C(=O)N2CCNCC2)N=C1C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-17-5-2-8(16-10(17)11(12,13)14)9(19)18-6-3-15-4-7-18/h2,15H,3-7H2,1H3
InChIKeyDULFHAYVUSBKJL-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.21
Rot. Bonds1

About [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone

[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone (PubChem CID 155260534) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone
PubChem CID155260534
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone
SMILESCN1CC=C(C(=O)N2CCNCC2)N=C1C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-17-5-2-8(16-10(17)11(12,13)14)9(19)18-6-3-15-4-7-18/h2,15H,3-7H2,1H3
InChIKeyDULFHAYVUSBKJL-UHFFFAOYSA-N
XLogP0.21
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone (CID 155260534) is [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone is CN1CC=C(C(=O)N2CCNCC2)N=C1C(F)(F)F.
What is the InChIKey of [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone?
The InChIKey is DULFHAYVUSBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-17-5-2-8(16-10(17)11(12,13)14)9(19)18-6-3-15-4-7-18/h2,15H,3-7H2,1H3.
What are the key properties of [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone?
[3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone has a molecular weight of 276.26 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(trifluoromethyl)-4H-pyrimidin-6-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 155260534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).