4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine

C15H14N4OS — CID 22349779

IUPAC4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H14N4OS/c1-21-15-18-13(17-14(16)19-15)9-20-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeyHWOKOXSMBYAUNI-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.91
Rot. Bonds4

About 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine (PubChem CID 22349779) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
PubChem CID22349779
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H14N4OS/c1-21-15-18-13(17-14(16)19-15)9-20-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeyHWOKOXSMBYAUNI-UHFFFAOYSA-N
XLogP2.91
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(naphthalen-2-yloxymethyl)-1,3,5-triazine-2,4-diamine
CID 9137806
4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084480
6-[(3,4-dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 9137860
2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
CID 167845932
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
6-naphthalen-2-yloxypyrimidine-2,4-diamine
CID 80870122
4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 130738995
2-ethoxynaphthalene
CID 118978197
3,5-dimethyl-2-(naphthalen-2-yloxymethyl)pyridin-4-amine
CID 103183022
3-fluoro-4-(naphthalen-2-yloxymethyl)aniline
CID 64767706
4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083645

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine (CID 22349779) is 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is HWOKOXSMBYAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-21-15-18-13(17-14(16)19-15)9-20-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 298.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22349779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).