N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine

C17H31N7 — CID 22418791

IUPACN,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
SMILESCCN(CC)c1nc(N2CCNCC2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H31N7/c1-4-22(5-2)17-19-15(23-8-6-18-7-9-23)14-16(20-17)24-12-10-21(3)11-13-24/h14,18H,4-13H2,1-3H3
InChIKeyPXGUIXXQVYNHCB-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.48
Rot. Bonds5

About N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine

N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine (PubChem CID 22418791) has the molecular formula C17H31N7 and a molecular weight of 333.48 g/mol. Its IUPAC name is N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
PubChem CID22418791
Molecular FormulaC17H31N7
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC NameN,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine
SMILESCCN(CC)c1nc(N2CCNCC2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H31N7/c1-4-22(5-2)17-19-15(23-8-6-18-7-9-23)14-16(20-17)24-12-10-21(3)11-13-24/h14,18H,4-13H2,1-3H3
InChIKeyPXGUIXXQVYNHCB-UHFFFAOYSA-N
XLogP0.48
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine 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,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine (CID 22418791) is N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine is CCN(CC)c1nc(N2CCNCC2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is PXGUIXXQVYNHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7/c1-4-22(5-2)17-19-15(23-8-6-18-7-9-23)14-16(20-17)24-12-10-21(3)11-13-24/h14,18H,4-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine?
N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 333.48 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(4-methylpiperazin-1-yl)-6-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 22418791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).