N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride

C19H27ClN6O2 — CID 18580226

IUPACN-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-2-15-3-5-16(6-4-15)20-17-21-18(24-7-11-26-12-8-24)23-19(22-17)25-9-13-27-14-10-25;/h3-6H,2,7-14H2,1H3,(H,20,21,22,23);1H
InChIKeyLDERYGLMNDDNQU-UHFFFAOYSA-N
MW406.92 g/mol
LogP2.27
Rot. Bonds5

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

N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580226) has the molecular formula C19H27ClN6O2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580226
Molecular FormulaC19H27ClN6O2
Molecular Weight406.92 g/mol
Exact Mass406.19
IUPAC NameN-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-2-15-3-5-16(6-4-15)20-17-21-18(24-7-11-26-12-8-24)23-19(22-17)25-9-13-27-14-10-25;/h3-6H,2,7-14H2,1H3,(H,20,21,22,23);1H
InChIKeyLDERYGLMNDDNQU-UHFFFAOYSA-N
XLogP2.27
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580226) is N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is CCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl.
What is the InChIKey of N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is LDERYGLMNDDNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.ClH/c1-2-15-3-5-16(6-4-15)20-17-21-18(24-7-11-26-12-8-24)23-19(22-17)25-9-13-27-14-10-25;/h3-6H,2,7-14H2,1H3,(H,20,21,22,23);1H.
What are the key properties of N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).