[2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone

C19H23FN4O — CID 118026280

IUPAC[2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)N1CCN(c2ncc(C(=O)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C19H23FN4O/c1-19(2,3)24-10-8-23(9-11-24)18-21-12-15(13-22-18)17(25)14-4-6-16(20)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBXTBWSXJOLGMKW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.77
Rot. Bonds3

About [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone

[2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone (PubChem CID 118026280) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone
PubChem CID118026280
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)N1CCN(c2ncc(C(=O)c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C19H23FN4O/c1-19(2,3)24-10-8-23(9-11-24)18-21-12-15(13-22-18)17(25)14-4-6-16(20)7-5-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyBXTBWSXJOLGMKW-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azaperone
CID 15443
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-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
(4-Fluorophenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2812700
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone (CID 118026280) is [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone is CC(C)(C)N1CCN(c2ncc(C(=O)c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is BXTBWSXJOLGMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-19(2,3)24-10-8-23(9-11-24)18-21-12-15(13-22-18)17(25)14-4-6-16(20)7-5-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone?
[2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylpiperazin-1-yl)pyrimidin-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 118026280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).