2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine

C15H15ClN6O — CID 146575258

IUPAC2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1nc(Cl)nc2c1ncn2C1CCCO1
InChIInChI=1S/C15H15ClN6O/c16-15-20-13(19-10-5-2-1-4-9(10)17)12-14(21-15)22(8-18-12)11-6-3-7-23-11/h1-2,4-5,8,11H,3,6-7,17H2,(H,19,20,21)
InChIKeyWHHXPASIPWIYAF-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.11
Rot. Bonds3

About 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine

2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine (PubChem CID 146575258) has the molecular formula C15H15ClN6O and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
PubChem CID146575258
Molecular FormulaC15H15ClN6O
Molecular Weight330.78 g/mol
Exact Mass330.10
IUPAC Name2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
SMILESNc1ccccc1Nc1nc(Cl)nc2c1ncn2C1CCCO1
InChIInChI=1S/C15H15ClN6O/c16-15-20-13(19-10-5-2-1-4-9(10)17)12-14(21-15)22(8-18-12)11-6-3-7-23-11/h1-2,4-5,8,11H,3,6-7,17H2,(H,19,20,21)
InChIKeyWHHXPASIPWIYAF-UHFFFAOYSA-N
XLogP3.11
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine 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

3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574952
2-chloro-9-(oxan-2-yl)-N-(2,3,4-trifluorophenyl)purin-6-amine
CID 146574717
6-N-(2-bromophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574948
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
CID 146574627
4-[[2-chloro-9-(oxan-2-yl)purin-6-yl]amino]benzene-1,3-diol
CID 146574987
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
1-N,4-N-bis[2-chloro-9-(oxan-2-yl)purin-6-yl]cyclohexane-1,4-diamine
CID 59343091
2-bromo-N-(2,3-dichlorophenyl)-9-(oxolan-2-yl)purin-6-amine
CID 146574899
N-(2,3-dichlorophenyl)-2-iodo-9-(oxolan-2-yl)purin-6-amine
CID 146574757

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine?
The IUPAC name of 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine (CID 146575258) is 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine is Nc1ccccc1Nc1nc(Cl)nc2c1ncn2C1CCCO1.
What is the InChIKey of 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine?
The InChIKey is WHHXPASIPWIYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN6O/c16-15-20-13(19-10-5-2-1-4-9(10)17)12-14(21-15)22(8-18-12)11-6-3-7-23-11/h1-2,4-5,8,11H,3,6-7,17H2,(H,19,20,21).
What are the key properties of 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine?
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine has a molecular weight of 330.78 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine is sourced from PubChem (CID 146575258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).