4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol

C25H29N7O2 — CID 117081260

IUPAC4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NCCc3ccc(O)cc3)ncnc21
InChIInChI=1S/C25H29N7O2/c1-17(2)32-24(19-5-8-21(27-15-19)31-11-13-34-14-12-31)30-22-23(28-16-29-25(22)32)26-10-9-18-3-6-20(33)7-4-18/h3-8,15-17,33H,9-14H2,1-2H3,(H,26,28,29)
InChIKeyLJZQJCLLBGBHQE-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.67
Rot. Bonds7

About 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol

4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol (PubChem CID 117081260) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
PubChem CID117081260
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC Name4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
SMILESCC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NCCc3ccc(O)cc3)ncnc21
InChIInChI=1S/C25H29N7O2/c1-17(2)32-24(19-5-8-21(27-15-19)31-11-13-34-14-12-31)30-22-23(28-16-29-25(22)32)26-10-9-18-3-6-20(33)7-4-18/h3-8,15-17,33H,9-14H2,1-2H3,(H,26,28,29)
InChIKeyLJZQJCLLBGBHQE-UHFFFAOYSA-N
XLogP3.67
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117091182
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 117082898
8-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-ylpurin-6-amine
CID 117091959
N-(2-morpholin-4-ylethyl)-9-propan-2-yl-8-thiophen-2-ylpurin-6-amine
CID 117090219
8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
CID 117085681
N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117089268
4-[6-[2-[di(propan-2-yl)amino]ethylamino]-9-propan-2-ylpurin-8-yl]benzamide
CID 117080051
6-morpholin-4-yl-N-(2-phenylethyl)pyridin-3-amine
CID 43724739
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-8-(1,3,5-trimethylpyrazol-4-yl)purin-6-amine
CID 117081075
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117083977

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol (CID 117081260) is 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol is CC(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2c(NCCc3ccc(O)cc3)ncnc21.
What is the InChIKey of 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
The InChIKey is LJZQJCLLBGBHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-17(2)32-24(19-5-8-21(27-15-19)31-11-13-34-14-12-31)30-22-23(28-16-29-25(22)32)26-10-9-18-3-6-20(33)7-4-18/h3-8,15-17,33H,9-14H2,1-2H3,(H,26,28,29).
What are the key properties of 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol?
4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol has a molecular weight of 459.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol is sourced from PubChem (CID 117081260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).