1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C11H14F2N4O — CID 126850017

IUPAC1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C11H14F2N4O/c1-8(18)16-2-4-17(5-3-16)10-6-9(11(12)13)14-7-15-10/h6-7,11H,2-5H2,1H3
InChIKeyLIHLRJYMDQBQPP-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.08
Rot. Bonds2

About 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 126850017) has the molecular formula C11H14F2N4O and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID126850017
Molecular FormulaC11H14F2N4O
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C(F)F)ncn2)CC1
InChIInChI=1S/C11H14F2N4O/c1-8(18)16-2-4-17(5-3-16)10-6-9(11(12)13)14-7-15-10/h6-7,11H,2-5H2,1H3
InChIKeyLIHLRJYMDQBQPP-UHFFFAOYSA-N
XLogP1.08
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 126850017) is 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(F)F)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is LIHLRJYMDQBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4O/c1-8(18)16-2-4-17(5-3-16)10-6-9(11(12)13)14-7-15-10/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 256.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 126850017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).