N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C21H27N7O2 — CID 171678508

IUPACN-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCn1ccc2cc(CNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C21H27N7O2/c1-26-5-4-17-14-16(2-3-18(17)26)15-22-19-23-20(27-6-10-29-11-7-27)25-21(24-19)28-8-12-30-13-9-28/h2-5,14H,6-13,15H2,1H3,(H,22,23,24,25)
InChIKeyGVEAGWKXSXCSDC-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.65
Rot. Bonds5

About N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 171678508) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID171678508
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCn1ccc2cc(CNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc21
InChIInChI=1S/C21H27N7O2/c1-26-5-4-17-14-16(2-3-18(17)26)15-22-19-23-20(27-6-10-29-11-7-27)25-21(24-19)28-8-12-30-13-9-28/h2-5,14H,6-13,15H2,1H3,(H,22,23,24,25)
InChIKeyGVEAGWKXSXCSDC-UHFFFAOYSA-N
XLogP1.65
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 171678508) is N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Cn1ccc2cc(CNc3nc(N4CCOCC4)nc(N4CCOCC4)n3)ccc21.
What is the InChIKey of N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is GVEAGWKXSXCSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-26-5-4-17-14-16(2-3-18(17)26)15-22-19-23-20(27-6-10-29-11-7-27)25-21(24-19)28-8-12-30-13-9-28/h2-5,14H,6-13,15H2,1H3,(H,22,23,24,25).
What are the key properties of N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 409.49 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-5-yl)methyl]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171678508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).