[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C16H18N4O3 — CID 110854718

IUPAC[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(C)n1
InChIInChI=1S/C16H18N4O3/c1-11-10-13(18-12(2)17-11)15(21)19-5-7-20(8-6-19)16(22)14-4-3-9-23-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyWEQLRXDMBQGQBA-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.28
Rot. Bonds2

About [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 110854718) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID110854718
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(C)n1
InChIInChI=1S/C16H18N4O3/c1-11-10-13(18-12(2)17-11)15(21)19-5-7-20(8-6-19)16(22)14-4-3-9-23-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyWEQLRXDMBQGQBA-UHFFFAOYSA-N
XLogP1.28
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[4-[2-(tert-butylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109332113
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-[2-(cyclohexylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109322670
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 171334935
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 110854718) is [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)nc(C)n1.
What is the InChIKey of [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is WEQLRXDMBQGQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-10-13(18-12(2)17-11)15(21)19-5-7-20(8-6-19)16(22)14-4-3-9-23-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 314.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110854718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).