6-(azetidin-1-yl)-9-methylpurine

C9H11N5 — CID 147079717

IUPAC6-(azetidin-1-yl)-9-methylpurine
SMILESCn1cnc2c(N3CCC3)ncnc21
InChIInChI=1S/C9H11N5/c1-13-6-12-7-8(13)10-5-11-9(7)14-3-2-4-14/h5-6H,2-4H2,1H3
InChIKeyBGQXACLASXFBMN-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.57
Rot. Bonds1

About 6-(azetidin-1-yl)-9-methylpurine

6-(azetidin-1-yl)-9-methylpurine (PubChem CID 147079717) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-9-methylpurine.

Molecular Properties

Compound Name6-(azetidin-1-yl)-9-methylpurine
PubChem CID147079717
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-(azetidin-1-yl)-9-methylpurine
SMILESCn1cnc2c(N3CCC3)ncnc21
InChIInChI=1S/C9H11N5/c1-13-6-12-7-8(13)10-5-11-9(7)14-3-2-4-14/h5-6H,2-4H2,1H3
InChIKeyBGQXACLASXFBMN-UHFFFAOYSA-N
XLogP0.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(azetidin-1-yl)-9-methylpurine 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

7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
9-methyl-6-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]purine
CID 171999134
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-9-methylpurine
CID 154853625
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
CID 154853569
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
CID 154829396
4-[[4-(9-methylpurin-6-yl)piperazin-1-yl]methyl]benzonitrile
CID 154853567
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163351886

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-1-yl)-9-methylpurine?
The IUPAC name of 6-(azetidin-1-yl)-9-methylpurine (CID 147079717) is 6-(azetidin-1-yl)-9-methylpurine.
What is the SMILES notation for 6-(azetidin-1-yl)-9-methylpurine?
The canonical SMILES for 6-(azetidin-1-yl)-9-methylpurine is Cn1cnc2c(N3CCC3)ncnc21.
What is the InChIKey of 6-(azetidin-1-yl)-9-methylpurine?
The InChIKey is BGQXACLASXFBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-13-6-12-7-8(13)10-5-11-9(7)14-3-2-4-14/h5-6H,2-4H2,1H3.
What are the key properties of 6-(azetidin-1-yl)-9-methylpurine?
6-(azetidin-1-yl)-9-methylpurine has a molecular weight of 189.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-1-yl)-9-methylpurine is sourced from PubChem (CID 147079717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).