N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine

C13H23N5 — CID 55114763

IUPACN-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-4-14-10-12-9-11(2)15-13(16-12)18-7-5-17(3)6-8-18/h9,14H,4-8,10H2,1-3H3
InChIKeyFNEUUWCCQISQFL-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.65
Rot. Bonds4

About N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine

N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 55114763) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID55114763
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1cc(C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-4-14-10-12-9-11(2)15-13(16-12)18-7-5-17(3)6-8-18/h9,14H,4-8,10H2,1-3H3
InChIKeyFNEUUWCCQISQFL-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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine (CID 55114763) is N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1cc(C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is FNEUUWCCQISQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-14-10-12-9-11(2)15-13(16-12)18-7-5-17(3)6-8-18/h9,14H,4-8,10H2,1-3H3.
What are the key properties of N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine?
N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-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-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 55114763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).