(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone

C15H15FN4O — CID 118022709

IUPAC(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C15H15FN4O/c16-13-3-1-11(2-4-13)14(21)12-9-18-15(19-10-12)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8H2
InChIKeyMEKXTXCAIYGVMF-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.26
Rot. Bonds3

About (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone

(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone (PubChem CID 118022709) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
PubChem CID118022709
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1ccc(F)cc1)c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C15H15FN4O/c16-13-3-1-11(2-4-13)14(21)12-9-18-15(19-10-12)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8H2
InChIKeyMEKXTXCAIYGVMF-UHFFFAOYSA-N
XLogP1.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-Amino-5-(2-methylbenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester
CID 10045499
4-[4-Amino-5-(2-fluorobenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic acid ethyl ester
CID 10249602
5-[(2-methylphenyl)carbonyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 11974957
[4-Amino-2-(1-methanesulfonylpiperidin-4-ylamino)pyrimidin-5-yl](2,6-difluorophenyl)methanone
CID 11975075
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](3-fluorophenyl)methanone
CID 11975201
2,4-Diamino-5-ketopyrimidine 20
CID 11975202
vanin-1 inhibitor [PMID: 33196323]
CID 124112161
2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 2431976
(4-Fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812700
2-fluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609657
2,6-difluoro-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 23609658
1-(4-Fluorophenyl)-4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)butan-1-one
CID 131695

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone (CID 118022709) is (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone is O=C(c1ccc(F)cc1)c1cnc(N2CCNCC2)nc1.
What is the InChIKey of (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone?
The InChIKey is MEKXTXCAIYGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-3-1-11(2-4-13)14(21)12-9-18-15(19-10-12)20-7-5-17-6-8-20/h1-4,9-10,17H,5-8H2.
What are the key properties of (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone?
(4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone has a molecular weight of 286.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-piperazin-1-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 118022709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).