4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine

C8H14N4S — CID 63867295

IUPAC4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CSC)n1
InChIInChI=1S/C8H14N4S/c1-3-4-6-10-7(5-13-2)12-8(9)11-6/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyBANGQFHZTVNRQY-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.27
Rot. Bonds4

About 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine

4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 63867295) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID63867295
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CSC)n1
InChIInChI=1S/C8H14N4S/c1-3-4-6-10-7(5-13-2)12-8(9)11-6/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyBANGQFHZTVNRQY-UHFFFAOYSA-N
XLogP1.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
Tbmt-PK15 (12)
CID 124222760
1,3,5-Triazin-2-amine, 4-(2-(ethylthio)ethyl)-6-methoxy-
CID 199928
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
4-(Ethylthio)-6-isopropyl-1,3,5-triazin-2-amine
CID 2782091
2,4,6-Tris(2-ethylsulfanylethyl)-1,3,5-triazine
CID 134914120
6-(2-Fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 136540320
4-Ethyl-6-[(2-fluoroethyl)sulfanyl]-1,3,5-triazin-2-amine
CID 178243244
1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl N,N-diethylcarbamodithioate
CID 16341626
3-[4,6-Bis(3-sulfanylpropyl)-1,3,5-triazin-2-yl]propane-1-thiol
CID 20502888
4-Methyl-6-propyl-1,3,5-triazin-2-amine
CID 20688256
6-(Methylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815922

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine (CID 63867295) is 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CSC)n1.
What is the InChIKey of 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is BANGQFHZTVNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-3-4-6-10-7(5-13-2)12-8(9)11-6/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine?
4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).