(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol

C17H21N5O3 — CID 100667164

IUPAC(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol
SMILESCCn1cnc2c(NC[C@H](O)c3cc(OC)ccc3OC)ncnc21
InChIInChI=1S/C17H21N5O3/c1-4-22-10-21-15-16(19-9-20-17(15)22)18-8-13(23)12-7-11(24-2)5-6-14(12)25-3/h5-7,9-10,13,23H,4,8H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyTYOAMCSUYAZBCU-ZDUSSCGKSA-N
MW343.39 g/mol
LogP2.01
Rot. Bonds7

About (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol

(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol (PubChem CID 100667164) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol
PubChem CID100667164
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol
SMILESCCn1cnc2c(NC[C@H](O)c3cc(OC)ccc3OC)ncnc21
InChIInChI=1S/C17H21N5O3/c1-4-22-10-21-15-16(19-9-20-17(15)22)18-8-13(23)12-7-11(24-2)5-6-14(12)25-3/h5-7,9-10,13,23H,4,8H2,1-3H3,(H,18,19,20)/t13-/m0/s1
InChIKeyTYOAMCSUYAZBCU-ZDUSSCGKSA-N
XLogP2.01
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine
CID 18440604
1-(2,5-dimethoxyphenyl)-2-(2-methylbutan-2-ylamino)ethanol
CID 60903994
3-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
CID 103993463
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2-methylfuro[3,2-c]pyridin-4-yl)amino]ethanol
CID 97309083
(2,5-dimethoxyphenyl)-(1-ethylimidazol-2-yl)methanol
CID 3140475
N-[2-(3,5-dimethylphenoxy)ethyl]-9-ethylpurin-6-amine
CID 165433963
2-[[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]pyridine-4-carbonitrile
CID 125142126
1-(2,5-dimethoxyphenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 61463357
2-[2-(diethylamino)ethylamino]-1-(2,5-dimethoxyphenyl)ethanol
CID 60896421
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
CID 110897794
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol?
The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol (CID 100667164) is (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol?
The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol is CCn1cnc2c(NC[C@H](O)c3cc(OC)ccc3OC)ncnc21.
What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol?
The InChIKey is TYOAMCSUYAZBCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-4-22-10-21-15-16(19-9-20-17(15)22)18-8-13(23)12-7-11(24-2)5-6-14(12)25-3/h5-7,9-10,13,23H,4,8H2,1-3H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol?
(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol has a molecular weight of 343.39 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol is sourced from PubChem (CID 100667164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).