6-(1,4-diazepan-1-yl)-7H-purine

C10H14N6 — CID 3702788

IUPAC6-(1,4-diazepan-1-yl)-7H-purine
SMILESc1nc(N2CCCNCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6/c1-2-11-3-5-16(4-1)10-8-9(13-6-12-8)14-7-15-10/h6-7,11H,1-5H2,(H,12,13,14,15)
InChIKeyLRKGCGBJAGYLHN-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.15
Rot. Bonds1

About 6-(1,4-diazepan-1-yl)-7H-purine

6-(1,4-diazepan-1-yl)-7H-purine (PubChem CID 3702788) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)-7H-purine.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)-7H-purine
PubChem CID3702788
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-(1,4-diazepan-1-yl)-7H-purine
SMILESc1nc(N2CCCNCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6/c1-2-11-3-5-16(4-1)10-8-9(13-6-12-8)14-7-15-10/h6-7,11H,1-5H2,(H,12,13,14,15)
InChIKeyLRKGCGBJAGYLHN-UHFFFAOYSA-N
XLogP0.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-(7H-purin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 70789255
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-(3-methylpiperazin-1-yl)-7H-purine
CID 62479456
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
(3R)-3-[[4-(7H-purin-6-yl)piperazin-1-yl]methyl]piperidin-3-ol
CID 95886653
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
6-(4-pyrazolidin-3-ylpiperidin-1-yl)-7H-purine
CID 133300022
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)-7H-purine?
The IUPAC name of 6-(1,4-diazepan-1-yl)-7H-purine (CID 3702788) is 6-(1,4-diazepan-1-yl)-7H-purine.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)-7H-purine?
The canonical SMILES for 6-(1,4-diazepan-1-yl)-7H-purine is c1nc(N2CCCNCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)-7H-purine?
The InChIKey is LRKGCGBJAGYLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c1-2-11-3-5-16(4-1)10-8-9(13-6-12-8)14-7-15-10/h6-7,11H,1-5H2,(H,12,13,14,15).
What are the key properties of 6-(1,4-diazepan-1-yl)-7H-purine?
6-(1,4-diazepan-1-yl)-7H-purine has a molecular weight of 218.26 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)-7H-purine is sourced from PubChem (CID 3702788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).