2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol

C22H23N7O2 — CID 117081487

IUPAC2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccc(N3CCOCC3)nc2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C22H23N7O2/c30-11-8-23-21-19-22(29(15-25-19)17-4-2-1-3-5-17)27-20(26-21)16-6-7-18(24-14-16)28-9-12-31-13-10-28/h1-7,14-15,30H,8-13H2,(H,23,26,27)
InChIKeyWTCPLPQDXJFIBL-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.12
Rot. Bonds6

About 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol

2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol (PubChem CID 117081487) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
PubChem CID117081487
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
SMILESOCCNc1nc(-c2ccc(N3CCOCC3)nc2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C22H23N7O2/c30-11-8-23-21-19-22(29(15-25-19)17-4-2-1-3-5-17)27-20(26-21)16-6-7-18(24-14-16)28-9-12-31-13-10-28/h1-7,14-15,30H,8-13H2,(H,23,26,27)
InChIKeyWTCPLPQDXJFIBL-UHFFFAOYSA-N
XLogP2.12
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol with MolForge

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Related Compounds

2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
CID 117082236
9-cyclohexyl-2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)purin-6-amine
CID 117089841
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117082690
[4-[6-(2-hydroxyethylamino)-9-phenylpurin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117079256
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
2-[(9-phenyl-2-thiophen-2-ylpurin-6-yl)amino]ethanol
CID 117090590
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117082898
N-(2-morpholin-4-ylethyl)-2-phenyl-9-thiophen-3-ylpurin-6-amine
CID 117089203
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
9-cyclohexyl-N-cyclopropyl-2-(6-morpholin-4-yl-3-pyridinyl)purin-6-amine
CID 117089738
2-N-(4-morpholin-4-ylphenyl)-6-N-(2-phenoxyethyl)-9-phenylpurine-2,6-diamine
CID 117089790
N-[2-(6-methoxy-3-pyridinyl)-9-phenylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117080808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol?
The IUPAC name of 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol (CID 117081487) is 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol is OCCNc1nc(-c2ccc(N3CCOCC3)nc2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol?
The InChIKey is WTCPLPQDXJFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c30-11-8-23-21-19-22(29(15-25-19)17-4-2-1-3-5-17)27-20(26-21)16-6-7-18(24-14-16)28-9-12-31-13-10-28/h1-7,14-15,30H,8-13H2,(H,23,26,27).
What are the key properties of 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol?
2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol has a molecular weight of 417.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol is sourced from PubChem (CID 117081487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).