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

C19H34N6O2 — CID 139073235

IUPAC4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H34N6O2/c1-18(2,3)14-19(4,5)23-15-20-16(24-6-10-26-11-7-24)22-17(21-15)25-8-12-27-13-9-25/h6-14H2,1-5H3,(H,20,21,22,23)
InChIKeySMOFEUCYJDTFJF-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.17
Rot. Bonds5

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

4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 139073235) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID139073235
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)(C)CC(C)(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H34N6O2/c1-18(2,3)14-19(4,5)23-15-20-16(24-6-10-26-11-7-24)22-17(21-15)25-8-12-27-13-9-25/h6-14H2,1-5H3,(H,20,21,22,23)
InChIKeySMOFEUCYJDTFJF-UHFFFAOYSA-N
XLogP2.17
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.17
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-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine (CID 139073235) is 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is CC(C)(C)CC(C)(C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is SMOFEUCYJDTFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-18(2,3)14-19(4,5)23-15-20-16(24-6-10-26-11-7-24)22-17(21-15)25-8-12-27-13-9-25/h6-14H2,1-5H3,(H,20,21,22,23).
What are the key properties of 4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 378.52 g/mol, XLogP of 2.17, 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-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 139073235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).