(2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H18N4O2 — CID 1246046

IUPAC(2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)o1
InChIInChI=1S/C15H18N4O2/c1-11-10-13(12(2)21-11)14(20)18-6-8-19(9-7-18)15-16-4-3-5-17-15/h3-5,10H,6-9H2,1-2H3
InChIKeyRFURXZGPPHBLQS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.65
Rot. Bonds2

About (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 1246046) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID1246046
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)o1
InChIInChI=1S/C15H18N4O2/c1-11-10-13(12(2)21-11)14(20)18-6-8-19(9-7-18)15-16-4-3-5-17-15/h3-5,10H,6-9H2,1-2H3
InChIKeyRFURXZGPPHBLQS-UHFFFAOYSA-N
XLogP1.65
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328121
(2-Methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 887215
(2,5-Dimethylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 1245848
[5-(Tert-butyl)-2-methyl-3-furyl]{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}methanone
CID 2742899
(2,5-Dimethyl-3-furyl){4-[5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone
CID 2811732
Furan-3-carboxylic acid (1-phenethyl-piperidin-4-yl)-pyrimidin-2-yl-amide
CID 14330386
4-Furan-3-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 44289422
Furan-3-carboxylic acid (2-chloro-pyrimidin-4-yl)-(1-phenethyl-piperidin-4-yl)-amide
CID 14330392
3,6-dimethyl-4-oxo-N~5~-(2-pyridyl)-3,4-dihydrofuro[2,3-d]pyrimidine-5-carboxamide
CID 16009470
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]furan-3-carboxamide
CID 46230579
2-{4-[(5-Methyl-2-furyl)methyl]-1-piperazinyl}pyrimidine
CID 783224

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 1246046) is (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is RFURXZGPPHBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-10-13(12(2)21-11)14(20)18-6-8-19(9-7-18)15-16-4-3-5-17-15/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 1246046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).