5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid

C13H14N4O3 — CID 62205660

IUPAC5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C13H14N4O3/c18-12(19)10-2-3-11(20-10)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1-5H,6-9H2,(H,18,19)
InChIKeyQPNOPRPNORKUTE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.09
Rot. Bonds3

About 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid

5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid (PubChem CID 62205660) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid
PubChem CID62205660
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C13H14N4O3/c18-12(19)10-2-3-11(20-10)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1-5H,6-9H2,(H,18,19)
InChIKeyQPNOPRPNORKUTE-UHFFFAOYSA-N
XLogP1.09
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)furan-2-carboxylic acid
CID 63024947
5-(1,1-dioxo-1,4-thiazinan-4-yl)furan-2-carboxylic acid
CID 62207067
(5-bromofuran-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896003
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
CID 177471870
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
4-oxo-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid
CID 14423695
1-(5-pyrrolidin-1-ylfuran-2-yl)ethanone
CID 82375805
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid (CID 62205660) is 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid is O=C(O)c1ccc(N2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid?
The InChIKey is QPNOPRPNORKUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12(19)10-2-3-11(20-10)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1-5H,6-9H2,(H,18,19).
What are the key properties of 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid?
5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-ylpiperazin-1-yl)furan-2-carboxylic acid is sourced from PubChem (CID 62205660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).