4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine

C7H12N4S — CID 2782086

IUPAC4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C7H12N4S/c1-4(2)5-9-6(8)11-7(10-5)12-3/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyZXQDMBNITJVBLW-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.30
Rot. Bonds2

About 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 2782086) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID2782086
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C7H12N4S/c1-4(2)5-9-6(8)11-7(10-5)12-3/h4H,1-3H3,(H2,8,9,10,11)
InChIKeyZXQDMBNITJVBLW-UHFFFAOYSA-N
XLogP1.30
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 602660
1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
6-(1-Methylethyl)-1,3,5-triazine-2,4-diamine
CID 21498
N,4-Dimethyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 3044742
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
4-Ethyl-6-(methylsulfanyl)-1,3,5-triazin-2-amine
CID 66490758
4-(2-Fluoropropan-2-yl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 11275703
4-(1-Fluoropropan-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 15430911
2-Amino-4-methylthio-6-(1-fluoroethyl)-1,3,5-triazine
CID 22244965
4-(Tert-butyl)-6-(methylthio)-1,3,5-triazin-2-amine
CID 2782087

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 2782086) is 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine is CSc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is ZXQDMBNITJVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4(2)5-9-6(8)11-7(10-5)12-3/h4H,1-3H3,(H2,8,9,10,11).
What are the key properties of 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 184.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2782086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).