2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

C17H16ClN5O — CID 826991

IUPAC2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESNc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C17H16ClN5O/c18-12-6-7-14(24)13(10-12)15-21-16(19)23-17(22-15)20-9-8-11-4-2-1-3-5-11/h1-7,10,24H,8-9H2,(H3,19,20,21,22,23)
InChIKeyNCPHBPHEMUDTST-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol

2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (PubChem CID 826991) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
PubChem CID826991
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESNc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2O)n1
InChIInChI=1S/C17H16ClN5O/c18-12-6-7-14(24)13(10-12)15-21-16(19)23-17(22-15)20-9-8-11-4-2-1-3-5-11/h1-7,10,24H,8-9H2,(H3,19,20,21,22,23)
InChIKeyNCPHBPHEMUDTST-UHFFFAOYSA-N
XLogP3.13
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Amino-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 853426
2-[4-Amino-6-(ethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826985
6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dipropylamine
CID 826994
2-[4-Amino-6-(butylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 1827381
[2-[4-Amino-6-(3-phenylpropylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155531067
[2-[4-Amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenyl]methanol
CID 155558626
{4-[(E)-2-(2-chlorophenyl)ethenyl]-6-(2-hydroxyphenyl)-1,3,5-triazin-2-yl}cyanamide
CID 135644849
2-Chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenol
CID 71599534
2-[4-Amino-6-(phenylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 3445006
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-cyclohexylamine
CID 826987
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-ethylamine
CID 826995

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The IUPAC name of 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol (CID 826991) is 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol.
What is the SMILES notation for 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The canonical SMILES for 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is Nc1nc(NCCc2ccccc2)nc(-c2cc(Cl)ccc2O)n1.
What is the InChIKey of 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The InChIKey is NCPHBPHEMUDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-12-6-7-14(24)13(10-12)15-21-16(19)23-17(22-15)20-9-8-11-4-2-1-3-5-11/h1-7,10,24H,8-9H2,(H3,19,20,21,22,23).
What are the key properties of 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol?
2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol has a molecular weight of 341.80 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]-4-chlorophenol is sourced from PubChem (CID 826991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).