[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol

C22H30N6O2 — CID 117084444

IUPAC[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(CCNc2ncnc3c2nc(N2CCCC2CO)n3C(C)C)cc1
InChIInChI=1S/C22H30N6O2/c1-15(2)28-21-19(26-22(28)27-12-4-5-17(27)13-29)20(24-14-25-21)23-11-10-16-6-8-18(30-3)9-7-16/h6-9,14-15,17,29H,4-5,10-13H2,1-3H3,(H,23,24,25)
InChIKeyURZLZXSUUOBHCT-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.03
Rot. Bonds8

About [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol

[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol (PubChem CID 117084444) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol
PubChem CID117084444
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol
SMILESCOc1ccc(CCNc2ncnc3c2nc(N2CCCC2CO)n3C(C)C)cc1
InChIInChI=1S/C22H30N6O2/c1-15(2)28-21-19(26-22(28)27-12-4-5-17(27)13-29)20(24-14-25-21)23-11-10-16-6-8-18(30-3)9-7-16/h6-9,14-15,17,29H,4-5,10-13H2,1-3H3,(H,23,24,25)
InChIKeyURZLZXSUUOBHCT-UHFFFAOYSA-N
XLogP3.03
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-2-yl]pyrrolidin-2-yl]methanol
CID 117084725
8-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-9-propan-2-ylpurin-6-amine
CID 117091959
[(2R)-1-[6-[2-(4-methoxyphenoxy)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763864
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
8-morpholin-4-yl-N-(2-phenoxyethyl)-9-propan-2-ylpurin-6-amine
CID 117085681
4-[2-[[8-(6-morpholin-4-yl-3-pyridinyl)-9-propan-2-ylpurin-6-yl]amino]ethyl]phenol
CID 117081260
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877
4-[2-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethyl]phenol
CID 117080479
[1-[4-[2-(4-bromophenyl)ethylamino]quinazolin-2-yl]pyrrolidin-2-yl]methanol
CID 46215470

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol (CID 117084444) is [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol is COc1ccc(CCNc2ncnc3c2nc(N2CCCC2CO)n3C(C)C)cc1.
What is the InChIKey of [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol?
The InChIKey is URZLZXSUUOBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-15(2)28-21-19(26-22(28)27-12-4-5-17(27)13-29)20(24-14-25-21)23-11-10-16-6-8-18(30-3)9-7-16/h6-9,14-15,17,29H,4-5,10-13H2,1-3H3,(H,23,24,25).
What are the key properties of [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol?
[1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol has a molecular weight of 410.52 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(4-methoxyphenyl)ethylamino]-9-propan-2-ylpurin-8-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117084444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).