3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine

C17H31N5O — CID 164557074

IUPAC3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine
SMILESCC(C)c1cnc(N2CCN(CCCOCCCN)CC2)nc1
InChIInChI=1S/C17H31N5O/c1-15(2)16-13-19-17(20-14-16)22-9-7-21(8-10-22)6-4-12-23-11-3-5-18/h13-15H,3-12,18H2,1-2H3
InChIKeySIZDETDHLAZYJK-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.48
Rot. Bonds9

About 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine

3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine (PubChem CID 164557074) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine.

Molecular Properties

Compound Name3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine
PubChem CID164557074
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine
SMILESCC(C)c1cnc(N2CCN(CCCOCCCN)CC2)nc1
InChIInChI=1S/C17H31N5O/c1-15(2)16-13-19-17(20-14-16)22-9-7-21(8-10-22)6-4-12-23-11-3-5-18/h13-15H,3-12,18H2,1-2H3
InChIKeySIZDETDHLAZYJK-UHFFFAOYSA-N
XLogP1.48
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine?
The IUPAC name of 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine (CID 164557074) is 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine.
What is the SMILES notation for 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine?
The canonical SMILES for 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine is CC(C)c1cnc(N2CCN(CCCOCCCN)CC2)nc1.
What is the InChIKey of 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine?
The InChIKey is SIZDETDHLAZYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-15(2)16-13-19-17(20-14-16)22-9-7-21(8-10-22)6-4-12-23-11-3-5-18/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine?
3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine has a molecular weight of 321.47 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]propoxy]propan-1-amine is sourced from PubChem (CID 164557074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).