4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine

C13H9ClN4O — CID 80869028

IUPAC4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C13H9ClN4O/c14-11-16-12(15)18-13(17-11)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,15,16,17,18)
InChIKeyMZUXHVRJKBWIMT-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.05
Rot. Bonds2

About 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine

4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine (PubChem CID 80869028) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine
PubChem CID80869028
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C13H9ClN4O/c14-11-16-12(15)18-13(17-11)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,15,16,17,18)
InChIKeyMZUXHVRJKBWIMT-UHFFFAOYSA-N
XLogP3.05
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[2-(trifluoromethyl)phenoxy]-1,3,5-triazin-2-amine
CID 80862866
4-chloro-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80883497
2-chloro-6-methyl-5-naphthalen-1-yloxypyrimidin-4-amine
CID 87714361
4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
CID 80867587
2-chloro-6-naphthalen-1-yloxypyridin-4-amine
CID 56990425
2,6-dinaphthalen-1-yloxypyridin-4-amine
CID 59962167
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
2,4-dichloro-6-(2-ethoxyphenoxy)-1,3,5-triazine
CID 62858074
4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine
CID 80864750
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
4-(2,3-dichlorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80881232

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine (CID 80869028) is 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine?
The InChIKey is MZUXHVRJKBWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-11-16-12(15)18-13(17-11)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,15,16,17,18).
What are the key properties of 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine?
4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine has a molecular weight of 272.70 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-naphthalen-1-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80869028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).