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

C17H21ClN6O2 — CID 7589315

IUPACN-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21ClN6O2/c18-13-3-1-2-4-14(13)19-15-20-16(23-5-9-25-10-6-23)22-17(21-15)24-7-11-26-12-8-24/h1-4H,5-12H2,(H,19,20,21,22)
InChIKeyMWZURHRDINJLTR-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.94
Rot. Bonds4

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

N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 7589315) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID7589315
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC NameN-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESClc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21ClN6O2/c18-13-3-1-2-4-14(13)19-15-20-16(23-5-9-25-10-6-23)22-17(21-15)24-7-11-26-12-8-24/h1-4H,5-12H2,(H,19,20,21,22)
InChIKeyMWZURHRDINJLTR-UHFFFAOYSA-N
XLogP1.94
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-N,4-N-bis(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955710
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 1288339
2-N,4-N-bis(2-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955718
4-N-(2-chlorophenyl)-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389188
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-methylquinolin-8-amine
CID 118467402
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2-chlorophenyl)acetamide
CID 1251793
ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 44899506
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 7589315) is N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is Clc1ccccc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is MWZURHRDINJLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c18-13-3-1-2-4-14(13)19-15-20-16(23-5-9-25-10-6-23)22-17(21-15)24-7-11-26-12-8-24/h1-4H,5-12H2,(H,19,20,21,22).
What are the key properties of N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 376.85 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 7589315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).