[2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C11H15FN4O — CID 155689299

IUPAC[2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(CF)n2)CC1
InChIInChI=1S/C11H15FN4O/c1-15-4-6-16(7-5-15)11(17)9-2-3-13-10(8-12)14-9/h2-3H,4-8H2,1H3
InChIKeyGWKUQKOHLKNBEA-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.33
Rot. Bonds2

About [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 155689299) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID155689299
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name[2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccnc(CF)n2)CC1
InChIInChI=1S/C11H15FN4O/c1-15-4-6-16(7-5-15)11(17)9-2-3-13-10(8-12)14-9/h2-3H,4-8H2,1H3
InChIKeyGWKUQKOHLKNBEA-UHFFFAOYSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 155689299) is [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccnc(CF)n2)CC1.
What is the InChIKey of [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GWKUQKOHLKNBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-15-4-6-16(7-5-15)11(17)9-2-3-13-10(8-12)14-9/h2-3H,4-8H2,1H3.
What are the key properties of [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 238.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 155689299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).