2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C21H23N5O2 — CID 8756296

IUPAC2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN[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/t20-/m1/s1
InChIKeyUAWFFCJOVUYIHN-HXUWFJFHSA-N
MW377.45 g/mol
LogP2.10
Rot. Bonds6

About 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 8756296) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID8756296
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN[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/t20-/m1/s1
InChIKeyUAWFFCJOVUYIHN-HXUWFJFHSA-N
XLogP2.10
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

[(R)-furan-2-yl(phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
CID 8756295
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8756076
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504
4-[2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8755138
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
3-(furan-2-ylmethylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 56823440
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78915307
2-(3-phenylpropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 109004865
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 112994685

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 8756296) is 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN[C@H](c1ccccc1)c1ccco1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is UAWFFCJOVUYIHN-HXUWFJFHSA-N. 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/t20-/m1/s1.
What are the key properties of 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 8756296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).