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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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).