2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine

C17H18ClN5O2 — CID 146574952

IUPAC2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
SMILESCCOc1ccccc1Nc1nc(Cl)nc2c1ncn2C1CCCO1
InChIInChI=1S/C17H18ClN5O2/c1-2-24-12-7-4-3-6-11(12)20-15-14-16(22-17(18)21-15)23(10-19-14)13-8-5-9-25-13/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H,20,21,22)
InChIKeyCNLFALZERCSOKD-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.93
Rot. Bonds5

About 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine

2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine (PubChem CID 146574952) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
PubChem CID146574952
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine
SMILESCCOc1ccccc1Nc1nc(Cl)nc2c1ncn2C1CCCO1
InChIInChI=1S/C17H18ClN5O2/c1-2-24-12-7-4-3-6-11(12)20-15-14-16(22-17(18)21-15)23(10-19-14)13-8-5-9-25-13/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H,20,21,22)
InChIKeyCNLFALZERCSOKD-UHFFFAOYSA-N
XLogP3.93
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine 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

N-(2-ethoxyphenyl)-2-methylsulfanyl-9-(oxolan-2-yl)purin-6-amine
CID 146575012
N-(2-ethoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575249
2-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,2-diamine
CID 146575258
2-chloro-N-(2,4-dimethoxyphenyl)-9-(oxan-2-yl)purin-6-amine
CID 146574556
6-(2-ethoxyanilino)-9-(oxolan-2-yl)-1H-purine-2-thione
CID 146575193
3-[[2-chloro-9-(oxolan-2-yl)purin-6-yl]amino]phenol
CID 146574627
3-N-[2-chloro-9-(oxolan-2-yl)purin-6-yl]benzene-1,3-diamine
CID 146575151
2-chloro-9-(oxan-2-yl)-N-(2,3,4-trifluorophenyl)purin-6-amine
CID 146574717
6-N-(2-chlorophenyl)-9-(oxolan-2-yl)purine-2,6-diamine
CID 146574966
N-(2-chlorophenyl)-2-fluoro-9-(oxolan-2-yl)purin-6-amine
CID 146575044
N-(2-chloro-3-methoxyphenyl)-2-fluoro-9-(oxan-2-yl)purin-6-amine
CID 146575313
N-(2-bromo-3-methoxyphenyl)-2-iodo-9-(oxan-2-yl)purin-6-amine
CID 146575136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine (CID 146574952) is 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine is CCOc1ccccc1Nc1nc(Cl)nc2c1ncn2C1CCCO1.
What is the InChIKey of 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine?
The InChIKey is CNLFALZERCSOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-2-24-12-7-4-3-6-11(12)20-15-14-16(22-17(18)21-15)23(10-19-14)13-8-5-9-25-13/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H,20,21,22).
What are the key properties of 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine?
2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine has a molecular weight of 359.82 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyphenyl)-9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 146574952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).