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

C14H19N5O2 — CID 80776333

IUPAC4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESCCNc1nc(NCCc2ccc(O)cc2)nc(OC)n1
InChIInChI=1S/C14H19N5O2/c1-3-15-12-17-13(19-14(18-12)21-2)16-9-8-10-4-6-11(20)7-5-10/h4-7,20H,3,8-9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVUPFQZWUWJOOIX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.67
Rot. Bonds7

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

4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol (PubChem CID 80776333) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
PubChem CID80776333
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESCCNc1nc(NCCc2ccc(O)cc2)nc(OC)n1
InChIInChI=1S/C14H19N5O2/c1-3-15-12-17-13(19-14(18-12)21-2)16-9-8-10-4-6-11(20)7-5-10/h4-7,20H,3,8-9H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyVUPFQZWUWJOOIX-UHFFFAOYSA-N
XLogP1.67
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol with MolForge

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Related Compounds

1-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80841768
4-N-ethyl-6-methoxy-2-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80786527
4-[2-[[4-[(4-chlorophenyl)methylamino]-6-(methoxyamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088652
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1,3,5-triazin-2-amine
CID 117093130
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11181674
4-[2-[(5,6-diethyl-1,2,4-triazin-3-yl)amino]ethyl]phenol
CID 105362499
4-[2-[[4-anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11445284
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80898444
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
4-N-ethyl-6-methoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80790808

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol (CID 80776333) is 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol is CCNc1nc(NCCc2ccc(O)cc2)nc(OC)n1.
What is the InChIKey of 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The InChIKey is VUPFQZWUWJOOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-15-12-17-13(19-14(18-12)21-2)16-9-8-10-4-6-11(20)7-5-10/h4-7,20H,3,8-9H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol?
4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol has a molecular weight of 289.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 80776333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).