8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine

C21H32N8 — CID 117091695

IUPAC8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine
SMILESCC(C)N(CCNc1ncnc2nc(Nc3cccc(N(C)C)c3)[nH]c12)C(C)C
InChIInChI=1S/C21H32N8/c1-14(2)29(15(3)4)11-10-22-19-18-20(24-13-23-19)27-21(26-18)25-16-8-7-9-17(12-16)28(5)6/h7-9,12-15H,10-11H2,1-6H3,(H3,22,23,24,25,26,27)
InChIKeyRUGAQXQRVZKMET-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.69
Rot. Bonds9

About 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine

8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine (PubChem CID 117091695) has the molecular formula C21H32N8 and a molecular weight of 396.54 g/mol. Its IUPAC name is 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine.

Molecular Properties

Compound Name8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine
PubChem CID117091695
Molecular FormulaC21H32N8
Molecular Weight396.54 g/mol
Exact Mass396.27
IUPAC Name8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine
SMILESCC(C)N(CCNc1ncnc2nc(Nc3cccc(N(C)C)c3)[nH]c12)C(C)C
InChIInChI=1S/C21H32N8/c1-14(2)29(15(3)4)11-10-22-19-18-20(24-13-23-19)27-21(26-18)25-16-8-7-9-17(12-16)28(5)6/h7-9,12-15H,10-11H2,1-6H3,(H3,22,23,24,25,26,27)
InChIKeyRUGAQXQRVZKMET-UHFFFAOYSA-N
XLogP3.69
TPSA85.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine with MolForge

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Related Compounds

6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-pyrazin-2-yl-7H-purine-6,8-diamine
CID 117084752
N-[4-[[8-[3-(dimethylamino)anilino]-7H-purin-6-yl]amino]phenyl]acetamide
CID 117088567
2-N-[3-(dimethylamino)phenyl]-4-N-[2-[di(propan-2-yl)amino]ethyl]-5-methylpyrimidine-2,4-diamine
CID 117088869
9-cyclohexyl-2-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]purine-2,6-diamine
CID 117079829
6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
CID 13199460
6-N-[2-(4-methoxyphenyl)ethyl]-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117088681
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
6-N-[2-[di(propan-2-yl)amino]ethyl]-8-N-phenyl-9-propan-2-ylpurine-6,8-diamine
CID 117091762
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
2-N-[3-(dimethylamino)phenyl]-3H-benzimidazole-2,5-diamine
CID 115376072
1-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297977
1-[3-[(8-anilino-7H-purin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117091724

Frequently Asked Questions

What is the IUPAC name of 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine?
The IUPAC name of 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine (CID 117091695) is 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine.
What is the SMILES notation for 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine?
The canonical SMILES for 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine is CC(C)N(CCNc1ncnc2nc(Nc3cccc(N(C)C)c3)[nH]c12)C(C)C.
What is the InChIKey of 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine?
The InChIKey is RUGAQXQRVZKMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N8/c1-14(2)29(15(3)4)11-10-22-19-18-20(24-13-23-19)27-21(26-18)25-16-8-7-9-17(12-16)28(5)6/h7-9,12-15H,10-11H2,1-6H3,(H3,22,23,24,25,26,27).
What are the key properties of 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine?
8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine has a molecular weight of 396.54 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine is sourced from PubChem (CID 117091695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).