1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone

C10H13FN4O — CID 115416365

IUPAC1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C10H13FN4O/c1-8(16)14-2-4-15(5-3-14)10-6-9(11)12-7-13-10/h6-7H,2-5H2,1H3
InChIKeyUNHVKVQJKOIZCJ-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.28
Rot. Bonds1

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

1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 115416365) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID115416365
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(F)ncn2)CC1
InChIInChI=1S/C10H13FN4O/c1-8(16)14-2-4-15(5-3-14)10-6-9(11)12-7-13-10/h6-7H,2-5H2,1H3
InChIKeyUNHVKVQJKOIZCJ-UHFFFAOYSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone (CID 115416365) is 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(F)ncn2)CC1.
What is the InChIKey of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is UNHVKVQJKOIZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c1-8(16)14-2-4-15(5-3-14)10-6-9(11)12-7-13-10/h6-7H,2-5H2,1H3.
What are the key properties of 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 224.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoropyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 115416365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).