4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol

C13H18N6O — CID 80797100

IUPAC4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESCN(C)c1nc(N)nc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C13H18N6O/c1-19(2)13-17-11(14)16-12(18-13)15-8-7-9-3-5-10(20)6-4-9/h3-6,20H,7-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyUPAYFXHQXCQEAX-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.88
Rot. Bonds5

About 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol

4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol (PubChem CID 80797100) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
PubChem CID80797100
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESCN(C)c1nc(N)nc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C13H18N6O/c1-19(2)13-17-11(14)16-12(18-13)15-8-7-9-3-5-10(20)6-4-9/h3-6,20H,7-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyUPAYFXHQXCQEAX-UHFFFAOYSA-N
XLogP0.88
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80898444
2-N,2-N-dimethyl-4-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 103012622
2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80853556
2-N,2-N-dimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 106106821
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N-dimethyl-4-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80828116
2-N,2-N-dimethyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 80854271
2-N,2-N-diethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80801144
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264890
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80829643
(Z)-but-2-enedioic acid;4-N-(2-phenylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 20840063

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol (CID 80797100) is 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol is CN(C)c1nc(N)nc(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The InChIKey is UPAYFXHQXCQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-19(2)13-17-11(14)16-12(18-13)15-8-7-9-3-5-10(20)6-4-9/h3-6,20H,7-8H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol has a molecular weight of 274.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 80797100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).