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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Related Compounds

N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 62742082
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62592824
N-[[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methyl]ethanamine
CID 83185682
4-[[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methylamino]methyl]benzoic acid
CID 122034691
N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
CID 62190556
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 62745632
N-[[4-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methyl]ethanamine
CID 62280357
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
2-(4-methylpiperazin-1-yl)-N,6-dipropylpyrimidin-4-amine
CID 62190377

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).