4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine

C20H21N7O — CID 56950791

IUPAC4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)nc(-n3ccnc3C)n2)c2cc[nH]c12
InChIInChI=1S/C20H21N7O/c1-13-3-4-16(15-5-6-22-17(13)15)18-23-19(26-9-11-28-12-10-26)25-20(24-18)27-8-7-21-14(27)2/h3-8,22H,9-12H2,1-2H3
InChIKeyJNFCYFOVXWKHNQ-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.66
Rot. Bonds3

About 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 56950791) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID56950791
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
SMILESCc1ccc(-c2nc(N3CCOCC3)nc(-n3ccnc3C)n2)c2cc[nH]c12
InChIInChI=1S/C20H21N7O/c1-13-3-4-16(15-5-6-22-17(13)15)18-23-19(26-9-11-28-12-10-26)25-20(24-18)27-8-7-21-14(27)2/h3-8,22H,9-12H2,1-2H3
InChIKeyJNFCYFOVXWKHNQ-UHFFFAOYSA-N
XLogP2.66
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine (CID 56950791) is 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine is Cc1ccc(-c2nc(N3CCOCC3)nc(-n3ccnc3C)n2)c2cc[nH]c12.
What is the InChIKey of 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is JNFCYFOVXWKHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-3-4-16(15-5-6-22-17(13)15)18-23-19(26-9-11-28-12-10-26)25-20(24-18)27-8-7-21-14(27)2/h3-8,22H,9-12H2,1-2H3.
What are the key properties of 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 375.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylimidazol-1-yl)-6-(7-methyl-1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 56950791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).