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

C8H14N4S — CID 15520739

IUPAC4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(C)nc(NC(C)C)n1
InChIInChI=1S/C8H14N4S/c1-5(2)9-7-10-6(3)11-8(12-7)13-4/h5H,1-4H3,(H,9,10,11,12)
InChIKeyJWVKABXRUYVQFP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.72
Rot. Bonds3

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

4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 15520739) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID15520739
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCSc1nc(C)nc(NC(C)C)n1
InChIInChI=1S/C8H14N4S/c1-5(2)9-7-10-6(3)11-8(12-7)13-4/h5H,1-4H3,(H,9,10,11,12)
InChIKeyJWVKABXRUYVQFP-UHFFFAOYSA-N
XLogP1.72
TPSA50.70 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ametryn
CID 13263
Prometryn
CID 4929
Desmetryn
CID 13904
Deethylametryne
CID 608030
N,4-Dimethyl-6-(methylthio)-1,3,5-triazin-2-amine
CID 3044742
1,3,5-Triazin-2-amine, N,4-dimethyl-6-(ethylthio)-
CID 3044743
1,3,5-Triazin-2-amine, 4-ethyl-N-methyl-6-(methylthio)-
CID 3044745
Prometryn-d14 (di-iso-propyl-d14)
CID 167995485
2-Ethyl-amino-4-isopropylamino-1,3,5-triazine
CID 22027372
2-Ethylamino-4-isopropylamino-6-thiomethyl-1,3,5-triazine
CID 57037219
(2,4-Di(isopropylamino)-6-thiomethyl-1,3,5-triazine)
CID 57213474
2-Methylamino-4-isopropylamino-6-thiomethyl-1,3,5-triazine
CID 57220320

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 15520739) is 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine is CSc1nc(C)nc(NC(C)C)n1.
What is the InChIKey of 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is JWVKABXRUYVQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5(2)9-7-10-6(3)11-8(12-7)13-4/h5H,1-4H3,(H,9,10,11,12).
What are the key properties of 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 15520739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).