2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine

C19H23N5O3S — CID 66597428

IUPAC2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine
SMILESCCOC1CN(c2nc(Sc3ccc(OC)cc3)nc3c2ncn3C)CCO1
InChIInChI=1S/C19H23N5O3S/c1-4-26-15-11-24(9-10-27-15)18-16-17(23(2)12-20-16)21-19(22-18)28-14-7-5-13(25-3)6-8-14/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeySIICYWXOAXAUJH-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.72
Rot. Bonds6

About 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine

2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine (PubChem CID 66597428) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine.

Molecular Properties

Compound Name2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine
PubChem CID66597428
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine
SMILESCCOC1CN(c2nc(Sc3ccc(OC)cc3)nc3c2ncn3C)CCO1
InChIInChI=1S/C19H23N5O3S/c1-4-26-15-11-24(9-10-27-15)18-16-17(23(2)12-20-16)21-19(22-18)28-14-7-5-13(25-3)6-8-14/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeySIICYWXOAXAUJH-UHFFFAOYSA-N
XLogP2.72
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine 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

4-[8-ethyl-9-(2-fluoroethyl)-2-(4-methoxyphenyl)sulfanylpurin-6-yl]morpholine
CID 66597121
5-[[6-(2,5-dihydropyrrol-1-yl)-9-methylpurin-2-yl]sulfanylmethyl]-2-methoxyaniline
CID 66597171
2-chloro-4-ethoxy-6-(4-methoxyphenyl)sulfanyl-1,3,5-triazine
CID 62859230
2-methoxy-9-methyl-6-piperazin-1-ylpurine
CID 15016753
2-[(4-ethoxyphenyl)-(4-methoxyphenoxy)methyl]-4-methylmorpholine
CID 23458425
tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
CID 141284313
6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
CID 163348498
2-(chloromethyl)-4-(7-methoxyisoquinolin-1-yl)morpholine
CID 106542980
3-(9-methyl-6-piperidin-1-ylpurin-2-yl)benzene-1,2-diol
CID 155552477
6-[5-(2,5-dimethoxyphenyl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-9-methylpurine
CID 155799590
4-(2,5-dimethylpyrimidin-4-yl)-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56876687
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine?
The IUPAC name of 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine (CID 66597428) is 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine.
What is the SMILES notation for 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine?
The canonical SMILES for 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine is CCOC1CN(c2nc(Sc3ccc(OC)cc3)nc3c2ncn3C)CCO1.
What is the InChIKey of 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine?
The InChIKey is SIICYWXOAXAUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-4-26-15-11-24(9-10-27-15)18-16-17(23(2)12-20-16)21-19(22-18)28-14-7-5-13(25-3)6-8-14/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine?
2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine has a molecular weight of 401.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[2-(4-methoxyphenyl)sulfanyl-9-methylpurin-6-yl]morpholine is sourced from PubChem (CID 66597428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).