[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

C15H13BrF2N4O — CID 2802464

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C15H13BrF2N4O/c16-10-8-19-15(20-9-10)22-6-4-21(5-7-22)14(23)13-11(17)2-1-3-12(13)18/h1-3,8-9H,4-7H2
InChIKeyNRFFBHDCSFXRDO-UHFFFAOYSA-N
MW383.20 g/mol
LogP2.48
Rot. Bonds2

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (PubChem CID 2802464) has the molecular formula C15H13BrF2N4O and a molecular weight of 383.20 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
PubChem CID2802464
Molecular FormulaC15H13BrF2N4O
Molecular Weight383.20 g/mol
Exact Mass382.02
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2ncc(Br)cn2)CC1
InChIInChI=1S/C15H13BrF2N4O/c16-10-8-19-15(20-9-10)22-6-4-21(5-7-22)14(23)13-11(17)2-1-3-12(13)18/h1-3,8-9H,4-7H2
InChIKeyNRFFBHDCSFXRDO-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-Methylbenzoyl)-1-piperazinyl]pyrimidine
CID 896524
2-[4-(3-Chlorobenzoyl)piperazin-1-yl]pyrimidine
CID 2933647
2-[4-(4-Chlorobenzoyl)piperazin-1-yl]pyrimidine
CID 727060
Phenyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2368501
2-[4-(4-Methylbenzoyl)piperazin-1-yl]pyrimidine
CID 903798
(3-Fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 3234351
3-fluoro-N-(pyrimidin-2-yl)benzamide
CID 821559
2-[4-(4-Bromobenzoyl)-1-piperazinyl]pyrimidine
CID 845062
2-fluoro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 2431976
(2,4-Dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2554447
(E)-3-(3-fluorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 2707498
Phenyl{4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl}methanone
CID 2811906

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone (CID 2802464) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is O=C(c1c(F)cccc1F)N1CCN(c2ncc(Br)cn2)CC1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is NRFFBHDCSFXRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N4O/c16-10-8-19-15(20-9-10)22-6-4-21(5-7-22)14(23)13-11(17)2-1-3-12(13)18/h1-3,8-9H,4-7H2.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 383.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 2802464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).