6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine

C13H16N6O — CID 22115031

IUPAC6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H16N6O/c14-11-16-12(15-10-4-2-1-3-5-10)18-13(17-11)19-6-8-20-9-7-19/h1-5H,6-9H2,(H3,14,15,16,17,18)
InChIKeySGUBWNDIOGQICB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.03
Rot. Bonds3

About 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 22115031) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID22115031
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H16N6O/c14-11-16-12(15-10-4-2-1-3-5-10)18-13(17-11)19-6-8-20-9-7-19/h1-5H,6-9H2,(H3,14,15,16,17,18)
InChIKeySGUBWNDIOGQICB-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

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Related Compounds

2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
4-[2-(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-1,2-diphenylethenyl]-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 70504908
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
2-N-cyclopentyl-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 685113
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
2-N-[(2,6-dichlorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 3592088
4-[[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 3667808
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 22115031) is 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SGUBWNDIOGQICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c14-11-16-12(15-10-4-2-1-3-5-10)18-13(17-11)19-6-8-20-9-7-19/h1-5H,6-9H2,(H3,14,15,16,17,18).
What are the key properties of 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-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 6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22115031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).