furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C14H16N4O2 — CID 171130326

IUPACfuran-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C14H16N4O2/c1-11-15-5-4-13(16-11)17-6-8-18(9-7-17)14(19)12-3-2-10-20-12/h2-5,10H,6-9H2,1H3
InChIKeyJRXXHVYOQWZTNI-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.34
Rot. Bonds2

About furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 171130326) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID171130326
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Namefuran-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C14H16N4O2/c1-11-15-5-4-13(16-11)17-6-8-18(9-7-17)14(19)12-3-2-10-20-12/h2-5,10H,6-9H2,1H3
InChIKeyJRXXHVYOQWZTNI-UHFFFAOYSA-N
XLogP1.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
furan-2-yl-[4-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112890442
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
[4-[2-(2-fluoroanilino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112898647
furan-2-yl-[4-[2-methyl-6-(2-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112875479

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 171130326) is furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is JRXXHVYOQWZTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-15-5-4-13(16-11)17-6-8-18(9-7-17)14(19)12-3-2-10-20-12/h2-5,10H,6-9H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 272.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171130326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).