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

C11H13N5O — CID 23514231

IUPAC4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-6(7-2-4-8(17)5-3-7)9-14-10(12)16-11(13)15-9/h2-6,17H,1H3,(H4,12,13,14,15,16)
InChIKeyREANZUYYKOINEH-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.89
Rot. Bonds2

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

4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol (PubChem CID 23514231) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol
PubChem CID23514231
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)c1nc(N)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-6(7-2-4-8(17)5-3-7)9-14-10(12)16-11(13)15-9/h2-6,17H,1H3,(H4,12,13,14,15,16)
InChIKeyREANZUYYKOINEH-UHFFFAOYSA-N
XLogP0.89
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
CID 97600
2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)phenol
CID 705456
2-(4-Amino-6-propan-2-yl-1,3,5-triazin-2-yl)phenol
CID 136079175
6-(4-Methoxybenzyl)-1,3,5-triazine-2,4-diamine
CID 826378
(6E)-2,4-ditert-butyl-6-(4,6-diamino-1H-s-triazin-2-ylidene)cyclohexa-2,4-dien-1-one
CID 135953403
4-(4,6-Diamino-1,3,5-triazin-2-YL)phenol
CID 4524718
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]phenol
CID 42601351
4-[(E)-N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-C-methyl-carbonimidoyl]phenol
CID 136233503
4-(2-Amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl)phenol
CID 597554
4-[2-(4-Amino-6-methyl-1,3,5-triazin-2-yl)ethyl]-2,6-ditert-butylphenol
CID 13864562
4-[2-(4-Amino-6-methylsulfanyl-1,3,5-triazin-2-yl)ethyl]-2,6-ditert-butylphenol
CID 13864568
N-[4-(2-hydroxyphenyl)-6-methyl-1,3,5-triazin-2-yl]cyanamide
CID 135842897

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol?
The IUPAC name of 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol (CID 23514231) is 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol?
The canonical SMILES for 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol is CC(c1ccc(O)cc1)c1nc(N)nc(N)n1.
What is the InChIKey of 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol?
The InChIKey is REANZUYYKOINEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6(7-2-4-8(17)5-3-7)9-14-10(12)16-11(13)15-9/h2-6,17H,1H3,(H4,12,13,14,15,16).
What are the key properties of 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol?
4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol has a molecular weight of 231.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]phenol is sourced from PubChem (CID 23514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).