(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C13H13BrN4O2 — CID 896003

IUPAC(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H13BrN4O2/c14-11-3-2-10(20-11)12(19)17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1-5H,6-9H2
InChIKeyWTOPLBFHMYWYAC-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.79
Rot. Bonds2

About (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 896003) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID896003
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H13BrN4O2/c14-11-3-2-10(20-11)12(19)17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1-5H,6-9H2
InChIKeyWTOPLBFHMYWYAC-UHFFFAOYSA-N
XLogP1.79
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromofuran-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292373
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 30867934
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
4-benzyl-2-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53131577
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
(5-bromofuran-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 55143260
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 39493722
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 896003) is (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Br)o1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WTOPLBFHMYWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-11-3-2-10(20-11)12(19)17-6-8-18(9-7-17)13-15-4-1-5-16-13/h1-5H,6-9H2.
What are the key properties of (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 896003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).