N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine

C26H38N8 — CID 71478868

IUPACN',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine
SMILESCc1nc2nc(CCCCN3CCN(C)CC3)nc(NCCN(C)C)c2nc1-c1ccccc1
InChIInChI=1S/C26H38N8/c1-20-23(21-10-6-5-7-11-21)31-24-25(27-13-15-32(2)3)29-22(30-26(24)28-20)12-8-9-14-34-18-16-33(4)17-19-34/h5-7,10-11H,8-9,12-19H2,1-4H3,(H,27,28,29,30)
InChIKeyRUMBWOQBTGKCOD-UHFFFAOYSA-N
MW462.65 g/mol
LogP2.94
Rot. Bonds10

About N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine

N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine (PubChem CID 71478868) has the molecular formula C26H38N8 and a molecular weight of 462.65 g/mol. Its IUPAC name is N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine
PubChem CID71478868
Molecular FormulaC26H38N8
Molecular Weight462.65 g/mol
Exact Mass462.32
IUPAC NameN',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine
SMILESCc1nc2nc(CCCCN3CCN(C)CC3)nc(NCCN(C)C)c2nc1-c1ccccc1
InChIInChI=1S/C26H38N8/c1-20-23(21-10-6-5-7-11-21)31-24-25(27-13-15-32(2)3)29-22(30-26(24)28-20)12-8-9-14-34-18-16-33(4)17-19-34/h5-7,10-11H,8-9,12-19H2,1-4H3,(H,27,28,29,30)
InChIKeyRUMBWOQBTGKCOD-UHFFFAOYSA-N
XLogP2.94
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.65
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-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

4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
CID 71479317
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
CID 71479252
8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one
CID 71111577
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250
7-(4-methylpiperazin-1-yl)-4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6-diamine
CID 71111903
CID 89386434
CID 89386434
N',N'-dimethyl-N-(3-phenylquinoxalin-2-yl)propane-1,3-diamine
CID 18549017
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 119109290
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N-diphenylphosphanyl-N-methyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 122548841
4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-6-phenyl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 46203354
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine (CID 71478868) is N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine is Cc1nc2nc(CCCCN3CCN(C)CC3)nc(NCCN(C)C)c2nc1-c1ccccc1.
What is the InChIKey of N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine?
The InChIKey is RUMBWOQBTGKCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N8/c1-20-23(21-10-6-5-7-11-21)31-24-25(27-13-15-32(2)3)29-22(30-26(24)28-20)12-8-9-14-34-18-16-33(4)17-19-34/h5-7,10-11H,8-9,12-19H2,1-4H3,(H,27,28,29,30).
What are the key properties of N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine has a molecular weight of 462.65 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 71478868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).