2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine

C15H27N5 — CID 62745632

IUPAC2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C15H27N5/c1-5-16-7-6-14-12(2)17-15(18-13(14)3)20-10-8-19(4)9-11-20/h16H,5-11H2,1-4H3
InChIKeyWSDZYLDFAPFRJS-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.00
Rot. Bonds5

About 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine

2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine (PubChem CID 62745632) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine
PubChem CID62745632
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine
SMILESCCNCCc1c(C)nc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C15H27N5/c1-5-16-7-6-14-12(2)17-15(18-13(14)3)20-10-8-19(4)9-11-20/h16H,5-11H2,1-4H3
InChIKeyWSDZYLDFAPFRJS-UHFFFAOYSA-N
XLogP1.00
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.00
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 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine (CID 62745632) is 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine is CCNCCc1c(C)nc(N2CCN(C)CC2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine?
The InChIKey is WSDZYLDFAPFRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-5-16-7-6-14-12(2)17-15(18-13(14)3)20-10-8-19(4)9-11-20/h16H,5-11H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine?
2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine has a molecular weight of 277.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-ethylethanamine is sourced from PubChem (CID 62745632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).