4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C9H16N4OS — CID 83083674

IUPAC4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCC(C)Cc1nc(N)nc(SC)n1
InChIInChI=1S/C9H16N4OS/c1-6(5-14-2)4-7-11-8(10)13-9(12-7)15-3/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQQWPJHDXEGKXGR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.00
Rot. Bonds5

About 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83083674) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83083674
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCOCC(C)Cc1nc(N)nc(SC)n1
InChIInChI=1S/C9H16N4OS/c1-6(5-14-2)4-7-11-8(10)13-9(12-7)15-3/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyQQWPJHDXEGKXGR-UHFFFAOYSA-N
XLogP1.00
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-methoxy-2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 112681519
4-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)butan-2-ol
CID 83084599
4-(fluoromethyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 130738995
4-methylsulfanyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 83084930
3-(4-amino-6-methylsulfanyl-1,3,5-triazin-2-yl)propan-1-ol
CID 83084222
4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103206958
4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83083645
4-[(3-ethoxycyclobutyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 103162628
4-[(4-chlorophenyl)sulfanylmethyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 2746148
4-methylsulfanyl-6-(naphthalen-2-yloxymethyl)-1,3,5-triazin-2-amine
CID 22349779
4-[(3-chlorophenoxy)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084480
2-ethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 70951796

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83083674) is 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is COCC(C)Cc1nc(N)nc(SC)n1.
What is the InChIKey of 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is QQWPJHDXEGKXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(5-14-2)4-7-11-8(10)13-9(12-7)15-3/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-2-methylpropyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).