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

C21H31ClN6O2 — CID 18580233

IUPACN-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C21H30N6O2.ClH/c1-2-3-4-17-5-7-18(8-6-17)22-19-23-20(26-9-13-28-14-10-26)25-21(24-19)27-11-15-29-16-12-27;/h5-8H,2-4,9-16H2,1H3,(H,22,23,24,25);1H
InChIKeyFVXIKQGQCWPEMQ-UHFFFAOYSA-N
MW434.97 g/mol
LogP3.05
Rot. Bonds7

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

N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580233) has the molecular formula C21H31ClN6O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580233
Molecular FormulaC21H31ClN6O2
Molecular Weight434.97 g/mol
Exact Mass434.22
IUPAC NameN-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl
InChIInChI=1S/C21H30N6O2.ClH/c1-2-3-4-17-5-7-18(8-6-17)22-19-23-20(26-9-13-28-14-10-26)25-21(24-19)27-11-15-29-16-12-27;/h5-8H,2-4,9-16H2,1H3,(H,22,23,24,25);1H
InChIKeyFVXIKQGQCWPEMQ-UHFFFAOYSA-N
XLogP3.05
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580233) is N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is CCCCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.Cl.
What is the InChIKey of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is FVXIKQGQCWPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2.ClH/c1-2-3-4-17-5-7-18(8-6-17)22-19-23-20(26-9-13-28-14-10-26)25-21(24-19)27-11-15-29-16-12-27;/h5-8H,2-4,9-16H2,1H3,(H,22,23,24,25);1H.
What are the key properties of N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 434.97 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).