8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

C18H24N5O2+ — CID 7688906

IUPAC8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCOc1ccc2[nH]c3c(NCC[NH+]4CCOCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O2/c1-2-25-13-3-4-15-14(11-13)16-17(22-15)18(21-12-20-16)19-5-6-23-7-9-24-10-8-23/h3-4,11-12,22H,2,5-10H2,1H3,(H,19,20,21)/p+1
InChIKeyLUEDRBMIVMAZLS-UHFFFAOYSA-O
MW342.42 g/mol
LogP0.84
Rot. Bonds6

About 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine

8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 7688906) has the molecular formula C18H24N5O2+ and a molecular weight of 342.42 g/mol. Its IUPAC name is 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID7688906
Molecular FormulaC18H24N5O2+
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCOc1ccc2[nH]c3c(NCC[NH+]4CCOCC4)ncnc3c2c1
InChIInChI=1S/C18H23N5O2/c1-2-25-13-3-4-15-14(11-13)16-17(22-15)18(21-12-20-16)19-5-6-23-7-9-24-10-8-23/h3-4,11-12,22H,2,5-10H2,1H3,(H,19,20,21)/p+1
InChIKeyLUEDRBMIVMAZLS-UHFFFAOYSA-O
XLogP0.84
TPSA76.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 943137
N-[2-(cyclohexen-1-yl)ethyl]-8-ethoxy-5H-pyrimido[5,4-b]indol-4-amine
CID 939062
8-chloro-N-(2-piperidin-1-ium-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 7639746
2-[4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-ium-1-yl]ethanol
CID 7518782
N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
CID 939389
1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681
(2R,6R)-4-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-2,6-dimethylmorpholine
CID 940941
4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole
CID 2030227
N-pentyl-5H-pyrimido[5,4-b]indol-4-amine
CID 2018302
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2031324
8-chloro-N-(2-piperidin-1-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944862

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 7688906) is 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is CCOc1ccc2[nH]c3c(NCC[NH+]4CCOCC4)ncnc3c2c1.
What is the InChIKey of 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is LUEDRBMIVMAZLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23N5O2/c1-2-25-13-3-4-15-14(11-13)16-17(22-15)18(21-12-20-16)19-5-6-23-7-9-24-10-8-23/h3-4,11-12,22H,2,5-10H2,1H3,(H,19,20,21)/p+1.
What are the key properties of 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 342.42 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 7688906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).