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

C18H24Cl2N6O2 — CID 20994610

IUPACN-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCc1ccc(Cl)c(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.Cl
InChIInChI=1S/C18H23ClN6O2.ClH/c1-13-2-3-14(19)15(12-13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25;/h2-3,12H,4-11H2,1H3,(H,20,21,22,23);1H
InChIKeyYDXVFTXQCCYQHV-UHFFFAOYSA-N
MW427.34 g/mol
LogP2.67
Rot. Bonds4

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

N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 20994610) has the molecular formula C18H24Cl2N6O2 and a molecular weight of 427.34 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID20994610
Molecular FormulaC18H24Cl2N6O2
Molecular Weight427.34 g/mol
Exact Mass426.13
IUPAC NameN-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
SMILESCc1ccc(Cl)c(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.Cl
InChIInChI=1S/C18H23ClN6O2.ClH/c1-13-2-3-14(19)15(12-13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25;/h2-3,12H,4-11H2,1H3,(H,20,21,22,23);1H
InChIKeyYDXVFTXQCCYQHV-UHFFFAOYSA-N
XLogP2.67
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589315
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 1131976
2-N-(3-chloro-4-methylphenyl)-4-N-(4-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580181
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride (CID 20994610) is N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is Cc1ccc(Cl)c(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.Cl.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is YDXVFTXQCCYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2.ClH/c1-13-2-3-14(19)15(12-13)20-16-21-17(24-4-8-26-9-5-24)23-18(22-16)25-6-10-27-11-7-25;/h2-3,12H,4-11H2,1H3,(H,20,21,22,23);1H.
What are the key properties of N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride?
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 427.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 20994610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).