4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine

C7H12N4S — CID 3044743

IUPAC4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
SMILESCCSc1nc(C)nc(NC)n1
InChIInChI=1S/C7H12N4S/c1-4-12-7-10-5(2)9-6(8-3)11-7/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyUYUYHXZGBCQIBZ-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.33
Rot. Bonds3

About 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine

4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 3044743) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID3044743
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
SMILESCCSc1nc(C)nc(NC)n1
InChIInChI=1S/C7H12N4S/c1-4-12-7-10-5(2)9-6(8-3)11-7/h4H2,1-3H3,(H,8,9,10,11)
InChIKeyUYUYHXZGBCQIBZ-UHFFFAOYSA-N
XLogP1.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-(Ethylsulfanyl)-6-Methyl-1,3,5-Triazin-2-Amine
CID 2726596
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
4,6-Bis-(ethylamino)-2-thiomethyl-1,3,5-triazine
CID 57179626
[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methanethiol
CID 389997
4-Ethyl-6-[(2-fluoroethyl)sulfanyl]-1,3,5-triazin-2-amine
CID 178243244
4-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 15520739
6-(Methylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815922
N-ethyl-4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-amine
CID 68165190
2-Chloro-4-ethylsulfanyl-6-methyl-1,3,5-triazine
CID 118921038
N'-(4-ethylsulfanyl-6-methyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
CID 126546654

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine (CID 3044743) is 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine is CCSc1nc(C)nc(NC)n1.
What is the InChIKey of 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is UYUYHXZGBCQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-4-12-7-10-5(2)9-6(8-3)11-7/h4H2,1-3H3,(H,8,9,10,11).
What are the key properties of 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 184.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3044743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).