4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine

C8H14N4S — CID 65134073

IUPAC4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCCSCc1nc(C)nc(N)n1
InChIInChI=1S/C8H14N4S/c1-3-4-13-5-7-10-6(2)11-8(9)12-7/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyMCXBPRQRQHZPAF-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.41
Rot. Bonds4

About 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine

4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine (PubChem CID 65134073) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
PubChem CID65134073
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
SMILESCCCSCc1nc(C)nc(N)n1
InChIInChI=1S/C8H14N4S/c1-3-4-13-5-7-10-6(2)11-8(9)12-7/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyMCXBPRQRQHZPAF-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
2,4,6-Tris(2-ethylsulfanylethyl)-1,3,5-triazine
CID 134914120
6-(2-Fluorobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 136540320
6-(3-Fluoropropylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 137919946
6-(5,5,5-Trifluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 154801304
6-(5-Fluoropentylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 167843935
4-Methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 13388288
6-(Methylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815922
6-(3-Aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 66235082
6-(2-Methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 112681469

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine (CID 65134073) is 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine is CCCSCc1nc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is MCXBPRQRQHZPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-3-4-13-5-7-10-6(2)11-8(9)12-7/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine?
4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65134073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).