2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine

C13H16N6O — CID 90891336

IUPAC2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ncncn2)cc1N1CCOCC1
InChIInChI=1S/C13H16N6O/c14-11-2-1-10(18-13-16-8-15-9-17-13)7-12(11)19-3-5-20-6-4-19/h1-2,7-9H,3-6,14H2,(H,15,16,17,18)
InChIKeyIQZLCHGBHDUDLZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.03
Rot. Bonds3

About 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine

2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine (PubChem CID 90891336) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine
PubChem CID90891336
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2ncncn2)cc1N1CCOCC1
InChIInChI=1S/C13H16N6O/c14-11-2-1-10(18-13-16-8-15-9-17-13)7-12(11)19-3-5-20-6-4-19/h1-2,7-9H,3-6,14H2,(H,15,16,17,18)
InChIKeyIQZLCHGBHDUDLZ-UHFFFAOYSA-N
XLogP1.03
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-yl-1-N-[6-(4-phenoxyphenoxy)pyrimidin-4-yl]benzene-1,3-diamine
CID 58434697
6-chloro-2-N-(4-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 121468961
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 141202625
6-N-(4-morpholin-4-ylphenyl)-4-N-pyrimidin-4-ylpyrimidine-2,4,6-triamine
CID 117089780
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
N-(3,4-dichlorophenyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 112886522
4-(2-methylpropoxy)-2-morpholin-4-ylaniline
CID 139208837
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
3-N-(3-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976353
N-(4-fluoro-3-morpholin-4-ylphenyl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711961
1-(2-amino-4-pyridinyl)-3-N-(4-morpholin-4-ylphenyl)-1,2,4-triazole-3,5-diamine
CID 71036344

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine (CID 90891336) is 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine is Nc1ccc(Nc2ncncn2)cc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine?
The InChIKey is IQZLCHGBHDUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-11-2-1-10(18-13-16-8-15-9-17-13)7-12(11)19-3-5-20-6-4-19/h1-2,7-9H,3-6,14H2,(H,15,16,17,18).
What are the key properties of 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine?
2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine has a molecular weight of 272.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-N-(1,3,5-triazin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 90891336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).