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

C19H27ClN6O2 — CID 18580227

IUPACN-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-14-3-4-16(13-15(14)2)20-17-21-18(24-5-9-26-10-6-24)23-19(22-17)25-7-11-27-12-8-25;/h3-4,13H,5-12H2,1-2H3,(H,20,21,22,23);1H
InChIKeyUYYOSANNYOUCQC-UHFFFAOYSA-N
MW406.92 g/mol
LogP2.33
Rot. Bonds4

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

N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 18580227) has the molecular formula C19H27ClN6O2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID18580227
Molecular FormulaC19H27ClN6O2
Molecular Weight406.92 g/mol
Exact Mass406.19
IUPAC NameN-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-14-3-4-16(13-15(14)2)20-17-21-18(24-5-9-26-10-6-24)23-19(22-17)25-7-11-27-12-8-25;/h3-4,13H,5-12H2,1-2H3,(H,20,21,22,23);1H
InChIKeyUYYOSANNYOUCQC-UHFFFAOYSA-N
XLogP2.33
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 18580227) is N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1C.Cl.
What is the InChIKey of N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is UYYOSANNYOUCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.ClH/c1-14-3-4-16(13-15(14)2)20-17-21-18(24-5-9-26-10-6-24)23-19(22-17)25-7-11-27-12-8-25;/h3-4,13H,5-12H2,1-2H3,(H,20,21,22,23);1H.
What are the key properties of N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 18580227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).