[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

C21H24N5O2+ — CID 8756295

IUPAC[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
SMILESO=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H23N5O2/c27-19(25-11-13-26(14-12-25)21-22-9-5-10-23-21)16-24-20(18-8-4-15-28-18)17-6-2-1-3-7-17/h1-10,15,20,24H,11-14,16H2/p+1/t20-/m1/s1
InChIKeyUAWFFCJOVUYIHN-HXUWFJFHSA-O
MW378.46 g/mol
LogP1.07
Rot. Bonds6

About [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium (PubChem CID 8756295) has the molecular formula C21H24N5O2+ and a molecular weight of 378.46 g/mol. Its IUPAC name is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
PubChem CID8756295
Molecular FormulaC21H24N5O2+
Molecular Weight378.46 g/mol
Exact Mass378.19
IUPAC Name[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
SMILESO=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H23N5O2/c27-19(25-11-13-26(14-12-25)21-22-9-5-10-23-21)16-24-20(18-8-4-15-28-18)17-6-2-1-3-7-17/h1-10,15,20,24H,11-14,16H2/p+1/t20-/m1/s1
InChIKeyUAWFFCJOVUYIHN-HXUWFJFHSA-O
XLogP1.07
TPSA79.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium with MolForge

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Related Compounds

2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8756296
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 8755765
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8696037
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
CID 9129754
3-(furan-2-ylmethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 56823440
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962

Frequently Asked Questions

What is the IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium?
The IUPAC name of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium (CID 8756295) is [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium.
What is the SMILES notation for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium?
The canonical SMILES for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium is O=C(C[NH2+][C@H](c1ccccc1)c1ccco1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium?
The InChIKey is UAWFFCJOVUYIHN-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H23N5O2/c27-19(25-11-13-26(14-12-25)21-22-9-5-10-23-21)16-24-20(18-8-4-15-28-18)17-6-2-1-3-7-17/h1-10,15,20,24H,11-14,16H2/p+1/t20-/m1/s1.
What are the key properties of [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium?
[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium has a molecular weight of 378.46 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium is sourced from PubChem (CID 8756295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).