N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine

C19H23N7 — CID 36784384

IUPACN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine
SMILESc1cnc(N2CCN(CCCNc3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C19H23N7/c1-2-6-17-16(5-1)23-15-18(24-17)20-9-4-10-25-11-13-26(14-12-25)19-21-7-3-8-22-19/h1-3,5-8,15H,4,9-14H2,(H,20,24)
InChIKeyIFRWVRQTHWYBTB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine

N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine (PubChem CID 36784384) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine
PubChem CID36784384
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC NameN-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine
SMILESc1cnc(N2CCN(CCCNc3cnc4ccccc4n3)CC2)nc1
InChIInChI=1S/C19H23N7/c1-2-6-17-16(5-1)23-15-18(24-17)20-9-4-10-25-11-13-26(14-12-25)19-21-7-3-8-22-19/h1-3,5-8,15H,4,9-14H2,(H,20,24)
InChIKeyIFRWVRQTHWYBTB-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine?
The IUPAC name of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine (CID 36784384) is N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine.
What is the SMILES notation for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine?
The canonical SMILES for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine is c1cnc(N2CCN(CCCNc3cnc4ccccc4n3)CC2)nc1.
What is the InChIKey of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine?
The InChIKey is IFRWVRQTHWYBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7/c1-2-6-17-16(5-1)23-15-18(24-17)20-9-4-10-25-11-13-26(14-12-25)19-21-7-3-8-22-19/h1-3,5-8,15H,4,9-14H2,(H,20,24).
What are the key properties of N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine?
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-amine is sourced from PubChem (CID 36784384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).