N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

C15H27N5 — CID 83185152

IUPACN-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C15H27N5/c1-4-6-16-11-14-12-17-15(18-13(14)3)20-9-7-19(5-2)8-10-20/h12,16H,4-11H2,1-3H3
InChIKeyILFRCKSUIFRUGV-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.43
Rot. Bonds6

About N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine

N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 83185152) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
PubChem CID83185152
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C15H27N5/c1-4-6-16-11-14-12-17-15(18-13(14)3)20-9-7-19(5-2)8-10-20/h12,16H,4-11H2,1-3H3
InChIKeyILFRCKSUIFRUGV-UHFFFAOYSA-N
XLogP1.43
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine (CID 83185152) is N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCN(CC)CC2)nc1C.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is ILFRCKSUIFRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-4-6-16-11-14-12-17-15(18-13(14)3)20-9-7-19(5-2)8-10-20/h12,16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 277.42 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 83185152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).