[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone

C12H13BrN6O — CID 81258199

IUPAC[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCN(c2ncc(Br)cn2)CC1)n1ccnc1
InChIInChI=1S/C12H13BrN6O/c13-10-7-15-11(16-8-10)17-3-5-18(6-4-17)12(20)19-2-1-14-9-19/h1-2,7-9H,3-6H2
InChIKeyFPFBGTZKXCAUAM-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.23
Rot. Bonds1

About [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone

[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone (PubChem CID 81258199) has the molecular formula C12H13BrN6O and a molecular weight of 337.18 g/mol. Its IUPAC name is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone
PubChem CID81258199
Molecular FormulaC12H13BrN6O
Molecular Weight337.18 g/mol
Exact Mass336.03
IUPAC Name[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCN(c2ncc(Br)cn2)CC1)n1ccnc1
InChIInChI=1S/C12H13BrN6O/c13-10-7-15-11(16-8-10)17-3-5-18(6-4-17)12(20)19-2-1-14-9-19/h1-2,7-9H,3-6H2
InChIKeyFPFBGTZKXCAUAM-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

imidazol-1-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4784723
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]but-2-en-1-one
CID 78968098
4-(5-bromopyrimidin-2-yl)-N-ethylpiperazine-1-carboxamide
CID 47252261
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 103813525
2-[2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 115586809
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 60947880
5-bromo-2-chloropyrimidine;tert-butyl 4-(5-bromopyrimidin-2-yl)piperazine-1-carboxylate
CID 157454691
2-(1-aminocyclobutyl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 79844040
2-(azetidin-3-yl)-1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]ethanone
CID 64610567
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
CID 81267870
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone (CID 81258199) is [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone is O=C(N1CCN(c2ncc(Br)cn2)CC1)n1ccnc1.
What is the InChIKey of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is FPFBGTZKXCAUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN6O/c13-10-7-15-11(16-8-10)17-3-5-18(6-4-17)12(20)19-2-1-14-9-19/h1-2,7-9H,3-6H2.
What are the key properties of [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone?
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 337.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 81258199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).