4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine

C24H35N9 — CID 71479317

IUPAC4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
SMILESCc1ccc(-c2nc(NCCN(C)C)c3ncc(NCCN4CCN(C)CC4)nc3n2)cc1
InChIInChI=1S/C24H35N9/c1-18-5-7-19(8-6-18)22-29-23(26-9-11-31(2)3)21-24(30-22)28-20(17-27-21)25-10-12-33-15-13-32(4)14-16-33/h5-8,17H,9-16H2,1-4H3,(H2,25,26,28,29,30)
InChIKeyBZLJIWYLQUPUOC-UHFFFAOYSA-N
MW449.61 g/mol
LogP2.03
Rot. Bonds9

About 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine

4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine (PubChem CID 71479317) has the molecular formula C24H35N9 and a molecular weight of 449.61 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
PubChem CID71479317
Molecular FormulaC24H35N9
Molecular Weight449.61 g/mol
Exact Mass449.30
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine
SMILESCc1ccc(-c2nc(NCCN(C)C)c3ncc(NCCN4CCN(C)CC4)nc3n2)cc1
InChIInChI=1S/C24H35N9/c1-18-5-7-19(8-6-18)22-29-23(26-9-11-31(2)3)21-24(30-22)28-20(17-27-21)25-10-12-33-15-13-32(4)14-16-33/h5-8,17H,9-16H2,1-4H3,(H2,25,26,28,29,30)
InChIKeyBZLJIWYLQUPUOC-UHFFFAOYSA-N
XLogP2.03
TPSA85.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.61
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine with MolForge

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Related Compounds

N',N'-dimethyl-N-[7-methyl-2-[4-(4-methylpiperazin-1-yl)butyl]-6-phenylpteridin-4-yl]ethane-1,2-diamine
CID 71478868
7-(4-methylpiperazin-1-yl)-4-N,6-N-bis(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6-diamine
CID 71111903
6,7-dimethyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-morpholin-4-ylbutyl)pteridin-4-amine
CID 71479252
4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 145022020
N-[5,6-dimethyl-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 54578205
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-morpholin-4-ylethyl)-7H-purin-6-amine
CID 71109457
6-chloro-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-phenylpyrimidine-4,5-diamine
CID 89282848
8-[2-(4-methylpiperazin-1-yl)ethyl]-4-[2-(4-methylpiperazin-1-yl)ethylamino]-2,6-diphenylpteridin-7-one
CID 71111577
7-(4-methylpiperazin-1-yl)-2-phenyl-N-[3-(1,2,4-triazol-1-yl)propyl]pteridin-4-amine
CID 71111947
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]-3-methylaniline
CID 62889245
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoxalin-2-amine
CID 60734250

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine (CID 71479317) is 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine is Cc1ccc(-c2nc(NCCN(C)C)c3ncc(NCCN4CCN(C)CC4)nc3n2)cc1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine?
The InChIKey is BZLJIWYLQUPUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N9/c1-18-5-7-19(8-6-18)22-29-23(26-9-11-31(2)3)21-24(30-22)28-20(17-27-21)25-10-12-33-15-13-32(4)14-16-33/h5-8,17H,9-16H2,1-4H3,(H2,25,26,28,29,30).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine?
4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine has a molecular weight of 449.61 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-(4-methylphenyl)-7-N-[2-(4-methylpiperazin-1-yl)ethyl]pteridine-4,7-diamine is sourced from PubChem (CID 71479317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).