1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one

C20H34N8O — CID 117078992

IUPAC1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCC(C)N(CCNc1nc(NCCCN2CCCC2=O)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C20H34N8O/c1-14(2)28(15(3)4)12-9-21-18-17-19(24-13-23-17)26-20(25-18)22-8-6-11-27-10-5-7-16(27)29/h13-15H,5-12H2,1-4H3,(H3,21,22,23,24,25,26)
InChIKeyUAAPDVXGFPLAHV-UHFFFAOYSA-N
MW402.55 g/mol
LogP2.31
Rot. Bonds11

About 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 117078992) has the molecular formula C20H34N8O and a molecular weight of 402.55 g/mol. Its IUPAC name is 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID117078992
Molecular FormulaC20H34N8O
Molecular Weight402.55 g/mol
Exact Mass402.29
IUPAC Name1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCC(C)N(CCNc1nc(NCCCN2CCCC2=O)nc2nc[nH]c12)C(C)C
InChIInChI=1S/C20H34N8O/c1-14(2)28(15(3)4)12-9-21-18-17-19(24-13-23-17)26-20(25-18)22-8-6-11-27-10-5-7-16(27)29/h13-15H,5-12H2,1-4H3,(H3,21,22,23,24,25,26)
InChIKeyUAAPDVXGFPLAHV-UHFFFAOYSA-N
XLogP2.31
TPSA102.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-[[2-(pyrimidin-2-ylamino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080695
1-[3-[[2-(3,4,5-trimethoxyanilino)-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117080908
1-[3-[[2-[(1-methylbenzimidazol-2-yl)amino]-7H-purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117081234
1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-9-thiophen-3-ylpurin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117080093
N-cyclopropyl-4-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-7H-purin-2-yl]benzamide
CID 117080069
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
1-[3-[[2-[3-[[di(propan-2-yl)amino]methyl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 68603913
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
1-[3-[[9-propan-2-yl-2-(pyridin-4-ylamino)purin-6-yl]amino]propyl]pyrrolidin-2-one
CID 117090692
1-[3-[[2-chloro-5-(dimethylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21081039

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one (CID 117078992) is 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one is CC(C)N(CCNc1nc(NCCCN2CCCC2=O)nc2nc[nH]c12)C(C)C.
What is the InChIKey of 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is UAAPDVXGFPLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N8O/c1-14(2)28(15(3)4)12-9-21-18-17-19(24-13-23-17)26-20(25-18)22-8-6-11-27-10-5-7-16(27)29/h13-15H,5-12H2,1-4H3,(H3,21,22,23,24,25,26).
What are the key properties of 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 402.55 g/mol, XLogP of 2.31, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 117078992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).