N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine

C20H26N8 — CID 71478220

IUPACN-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine
SMILESCN1CCN(c2nc(NCCNCc3ccccc3)c3nccnc3n2)CC1
InChIInChI=1S/C20H26N8/c1-27-11-13-28(14-12-27)20-25-18(17-19(26-20)24-10-9-22-17)23-8-7-21-15-16-5-3-2-4-6-16/h2-6,9-10,21H,7-8,11-15H2,1H3,(H,23,24,25,26)
InChIKeyLJCWKEHJLOGYFA-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.37
Rot. Bonds7

About N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine

N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine (PubChem CID 71478220) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine
PubChem CID71478220
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC NameN-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine
SMILESCN1CCN(c2nc(NCCNCc3ccccc3)c3nccnc3n2)CC1
InChIInChI=1S/C20H26N8/c1-27-11-13-28(14-12-27)20-25-18(17-19(26-20)24-10-9-22-17)23-8-7-21-15-16-5-3-2-4-6-16/h2-6,9-10,21H,7-8,11-15H2,1H3,(H,23,24,25,26)
InChIKeyLJCWKEHJLOGYFA-UHFFFAOYSA-N
XLogP1.37
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(4-methylpiperazin-1-yl)pteridin-4-yl]amino]-N-pyridin-2-ylethanesulfonamide
CID 157027127
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 39336298
N-benzyl-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-4-amine
CID 112936341
trans-(1S,2S)-2-[3-[[2-(4-methylpiperazin-1-yl)pteridin-4-yl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 171653785
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[4-[2-(methylamino)ethylamino]pteridin-2-yl]piperazin-1-yl]methanone
CID 71478218
N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pteridin-4-amine
CID 171653777
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
CID 46891062
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112936355
6-chloro-2-(4-methylpiperazin-1-yl)-4-N,7-N-bis[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
CID 118892615
2-[4-[4-(2,5-dimethylanilino)pteridin-2-yl]piperazin-1-yl]ethanol
CID 16910970
2-N-benzyl-4-N-phenylpteridine-2,4-diamine
CID 16911184
2-(4-methylpiperazin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112936354

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine (CID 71478220) is N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine is CN1CCN(c2nc(NCCNCc3ccccc3)c3nccnc3n2)CC1.
What is the InChIKey of N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine?
The InChIKey is LJCWKEHJLOGYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-27-11-13-28(14-12-27)20-25-18(17-19(26-20)24-10-9-22-17)23-8-7-21-15-16-5-3-2-4-6-16/h2-6,9-10,21H,7-8,11-15H2,1H3,(H,23,24,25,26).
What are the key properties of N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine?
N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine has a molecular weight of 378.48 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-(4-methylpiperazin-1-yl)pteridin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 71478220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).