2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol

C14H16N4O2 — CID 2022572

IUPAC2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
SMILESCCOc1ccc2[nH]c3c(NCCO)ncnc3c2c1
InChIInChI=1S/C14H16N4O2/c1-2-20-9-3-4-11-10(7-9)12-13(18-11)14(15-5-6-19)17-8-16-12/h3-4,7-8,18-19H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyVTMCGRVMVHFXPM-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.91
Rot. Bonds5

About 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol

2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol (PubChem CID 2022572) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
PubChem CID2022572
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
SMILESCCOc1ccc2[nH]c3c(NCCO)ncnc3c2c1
InChIInChI=1S/C14H16N4O2/c1-2-20-9-3-4-11-10(7-9)12-13(18-11)14(15-5-6-19)17-8-16-12/h3-4,7-8,18-19H,2,5-6H2,1H3,(H,15,16,17)
InChIKeyVTMCGRVMVHFXPM-UHFFFAOYSA-N
XLogP1.91
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

MLi-2
CID 78319901
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
N-(1H-indol-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330185
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
(2R,3R,4S,5R)-2-(6-amino-2-(2-(5-methoxy-1H-indol-3-yl)ethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
CID 16203665
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051

Frequently Asked Questions

What is the IUPAC name of 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
The IUPAC name of 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol (CID 2022572) is 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
The canonical SMILES for 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol is CCOc1ccc2[nH]c3c(NCCO)ncnc3c2c1.
What is the InChIKey of 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
The InChIKey is VTMCGRVMVHFXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-20-9-3-4-11-10(7-9)12-13(18-11)14(15-5-6-19)17-8-16-12/h3-4,7-8,18-19H,2,5-6H2,1H3,(H,15,16,17).
What are the key properties of 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol?
2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol has a molecular weight of 272.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol is sourced from PubChem (CID 2022572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).