N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine

C13H23N5 — CID 83185682

IUPACN-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H23N5/c1-4-14-9-12-10-15-13(16-11(12)2)18-7-5-17(3)6-8-18/h10,14H,4-9H2,1-3H3
InChIKeySMZLUYVVGTZDHU-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.65
Rot. Bonds4

About N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine

N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 83185682) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID83185682
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C13H23N5/c1-4-14-9-12-10-15-13(16-11(12)2)18-7-5-17(3)6-8-18/h10,14H,4-9H2,1-3H3
InChIKeySMZLUYVVGTZDHU-UHFFFAOYSA-N
XLogP0.65
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine 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 N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine (CID 83185682) is N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(N2CCN(C)CC2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is SMZLUYVVGTZDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-14-9-12-10-15-13(16-11(12)2)18-7-5-17(3)6-8-18/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine?
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 83185682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).