3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C19H24N4O2 — CID 94472444

IUPAC3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESC[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C19H24N4O2/c1-14-13-16(14)17-5-3-15(25-17)4-6-18(24)22-9-11-23(12-10-22)19-20-7-2-8-21-19/h2-3,5,7-8,14,16H,4,6,9-13H2,1H3/t14-,16+/m0/s1
InChIKeyGBRGEUKMHWGIRX-GOEBONIOSA-N
MW340.43 g/mol
LogP2.47
Rot. Bonds5

About 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 94472444) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID94472444
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESC[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C19H24N4O2/c1-14-13-16(14)17-5-3-15(25-17)4-6-18(24)22-9-11-23(12-10-22)19-20-7-2-8-21-19/h2-3,5,7-8,14,16H,4,6,9-13H2,1H3/t14-,16+/m0/s1
InChIKeyGBRGEUKMHWGIRX-GOEBONIOSA-N
XLogP2.47
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-phenylfuran-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9114353
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94120307
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71942741
ethyl 6-[4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 55636691
1-[1-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816833
1-[1-[3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 94628029
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761439
1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 95289388
N-[[(3R)-1-[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100854495
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 71927931
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95352466
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-3-[5-(2-methylcyclopropyl)furan-2-yl]propan-1-one
CID 55447919

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 94472444) is 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is GBRGEUKMHWGIRX-GOEBONIOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-13-16(14)17-5-3-15(25-17)4-6-18(24)22-9-11-23(12-10-22)19-20-7-2-8-21-19/h2-3,5,7-8,14,16H,4,6,9-13H2,1H3/t14-,16+/m0/s1.
What are the key properties of 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 94472444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).