8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine

C20H20N4O2 — CID 939389

IUPAC8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2[nH]c3c(NCCc4ccccc4OC)ncnc3c2c1
InChIInChI=1S/C20H20N4O2/c1-25-14-7-8-16-15(11-14)18-19(24-16)20(23-12-22-18)21-10-9-13-5-3-4-6-17(13)26-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyLALRFUFGFULYTR-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.78
Rot. Bonds6

About 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine

8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 939389) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID939389
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine
SMILESCOc1ccc2[nH]c3c(NCCc4ccccc4OC)ncnc3c2c1
InChIInChI=1S/C20H20N4O2/c1-25-14-7-8-16-15(11-14)18-19(24-16)20(23-12-22-18)21-10-9-13-5-3-4-6-17(13)26-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyLALRFUFGFULYTR-UHFFFAOYSA-N
XLogP3.78
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 3799067
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 2009604
1-[3-[(8-methoxy-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]pyrrolidin-2-one
CID 2022681
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
N-pentyl-5H-pyrimido[5,4-b]indol-4-amine
CID 2018302
2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
CID 2005544
5-bromo-4-N-[2-(2-methoxyphenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106262696
8-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 7688906
N-(3-methylbutyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 944182
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
8-ethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 2031324

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine (CID 939389) is 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine is COc1ccc2[nH]c3c(NCCc4ccccc4OC)ncnc3c2c1.
What is the InChIKey of 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is LALRFUFGFULYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-25-14-7-8-16-15(11-14)18-19(24-16)20(23-12-22-18)21-10-9-13-5-3-4-6-17(13)26-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine?
8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 348.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[2-(2-methoxyphenyl)ethyl]-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 939389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).