4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

C20H28N6O2 — CID 1102652

IUPAC4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N6O2/c1-15(2)16-3-5-17(6-4-16)21-18-22-19(25-7-11-27-12-8-25)24-20(23-18)26-9-13-28-14-10-26/h3-6,15H,7-14H2,1-2H3,(H,21,22,23,24)
InChIKeyBRJUKCQOGSDWRM-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.41
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 1102652) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
PubChem CID1102652
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H28N6O2/c1-15(2)16-3-5-17(6-4-16)21-18-22-19(25-7-11-27-12-8-25)24-20(23-18)26-9-13-28-14-10-26/h3-6,15H,7-14H2,1-2H3,(H,21,22,23,24)
InChIKeyBRJUKCQOGSDWRM-UHFFFAOYSA-N
XLogP2.41
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine (CID 1102652) is 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is CC(C)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BRJUKCQOGSDWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)16-3-5-17(6-4-16)21-18-22-19(25-7-11-27-12-8-25)24-20(23-18)26-9-13-28-14-10-26/h3-6,15H,7-14H2,1-2H3,(H,21,22,23,24).
What are the key properties of 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 384.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-(4-propan-2-ylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1102652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).