(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone

C16H22N6O2 — CID 138381499

IUPAC(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
SMILESCC1(C(=O)N2CCCN(c3ncnc4nc[nH]c34)CC2)CCCO1
InChIInChI=1S/C16H22N6O2/c1-16(4-2-9-24-16)15(23)22-6-3-5-21(7-8-22)14-12-13(18-10-17-12)19-11-20-14/h10-11H,2-9H2,1H3,(H,17,18,19,20)
InChIKeySWZQTEFLTYFTGY-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.96
Rot. Bonds2

About (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone

(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 138381499) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
PubChem CID138381499
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
SMILESCC1(C(=O)N2CCCN(c3ncnc4nc[nH]c34)CC2)CCCO1
InChIInChI=1S/C16H22N6O2/c1-16(4-2-9-24-16)15(23)22-6-3-5-21(7-8-22)14-12-13(18-10-17-12)19-11-20-14/h10-11H,2-9H2,1H3,(H,17,18,19,20)
InChIKeySWZQTEFLTYFTGY-UHFFFAOYSA-N
XLogP0.96
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone 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

cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
(5-methyl-1,3-oxazol-4-yl)-[4-(7H-purin-6-yl)piperazin-1-yl]methanone
CID 118779921
[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 51087667
(2-methyloxan-2-yl)-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70713244
6-(5-azaspiro[2.5]octan-5-yl)-7H-purine
CID 133481023
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
[(2S)-2-methyloxolan-2-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126435893
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
[6-hydroxy-4-(7H-purin-6-yl)-1,4-diazepan-1-yl]-(2-oxabicyclo[2.2.1]heptan-4-yl)methanone
CID 166331808
3-(1-methylpiperidin-2-yl)-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one
CID 72928977
[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 124572044

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone (CID 138381499) is (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone is CC1(C(=O)N2CCCN(c3ncnc4nc[nH]c34)CC2)CCCO1.
What is the InChIKey of (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is SWZQTEFLTYFTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-16(4-2-9-24-16)15(23)22-6-3-5-21(7-8-22)14-12-13(18-10-17-12)19-11-20-14/h10-11H,2-9H2,1H3,(H,17,18,19,20).
What are the key properties of (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone?
(2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-2-yl)-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 138381499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).