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

C8H14N4S — CID 63867899

IUPAC4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C8H14N4S/c1-5(2)7-10-6(4-13-3)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyFKSZKXDENCEAJW-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.44
Rot. Bonds3

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

4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 63867899) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID63867899
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSCc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C8H14N4S/c1-5(2)7-10-6(4-13-3)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyFKSZKXDENCEAJW-UHFFFAOYSA-N
XLogP1.44
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Methylsulfanyl)-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 2782086
Tbmt-PK15 (12)
CID 124222760
1,3,5-Triazin-2-amine, 4-(2-(ethylthio)ethyl)-6-methoxy-
CID 199928
4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
Bis(propan-2-yl)-1,3,5-triazin-2-amine
CID 63869137
4-(Ethylthio)-6-isopropyl-1,3,5-triazin-2-amine
CID 2782091
2,4-Diisopropyl-6-isothiocyanato-1,3,5-triazine
CID 129838730
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
6-(Methylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815922
4-Methyl-6-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 63866962

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 63867899) is 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CSCc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is FKSZKXDENCEAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5(2)7-10-6(4-13-3)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).