N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine

C26H31N7O2 — CID 117082898

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
SMILESCOc1ccc(CCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3C(C)C)cc1
InChIInChI=1S/C26H31N7O2/c1-18(2)33-17-29-23-25(27-11-10-19-4-7-21(34-3)8-5-19)30-24(31-26(23)33)20-6-9-22(28-16-20)32-12-14-35-15-13-32/h4-9,16-18H,10-15H2,1-3H3,(H,27,30,31)
InChIKeyKEWMOPSPSRNVBC-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.97
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine

N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine (PubChem CID 117082898) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
PubChem CID117082898
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
SMILESCOc1ccc(CCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3C(C)C)cc1
InChIInChI=1S/C26H31N7O2/c1-18(2)33-17-29-23-25(27-11-10-19-4-7-21(34-3)8-5-19)30-24(31-26(23)33)20-6-9-22(28-16-20)32-12-14-35-15-13-32/h4-9,16-18H,10-15H2,1-3H3,(H,27,30,31)
InChIKeyKEWMOPSPSRNVBC-UHFFFAOYSA-N
XLogP3.97
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)purin-6-amine
CID 117092021
2-(6-morpholin-4-yl-3-pyridinyl)-N-(2-phenoxyethyl)-9-phenylpurin-6-amine
CID 117082236
2-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-phenylpurin-6-yl]amino]ethanol
CID 117081487
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
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
6-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-yl-2-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 117080623
[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117084725
4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 117081260
6-N-[(4-methoxyphenyl)methyl]-2-N-(2-phenylethyl)-9-propan-2-ylpurine-2,6-diamine
CID 11144193
4-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]benzenesulfonamide
CID 67359486
5-[6-[2-(4-methylphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyridine-3-carbonitrile
CID 123605332

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine (CID 117082898) is N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine is COc1ccc(CCNc2nc(-c3ccc(N4CCOCC4)nc3)nc3c2ncn3C(C)C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
The InChIKey is KEWMOPSPSRNVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-18(2)33-17-29-23-25(27-11-10-19-4-7-21(34-3)8-5-19)30-24(31-26(23)33)20-6-9-22(28-16-20)32-12-14-35-15-13-32/h4-9,16-18H,10-15H2,1-3H3,(H,27,30,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine?
N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine has a molecular weight of 473.58 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 117082898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).