5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C11H16N6S2 — CID 80882929

IUPAC5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1ncnc(Sc2nnc(N(C)C)s2)c1C
InChIInChI=1S/C11H16N6S2/c1-5-12-8-7(2)9(14-6-13-8)18-11-16-15-10(19-11)17(3)4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyVKJSCUQGMBPERK-UHFFFAOYSA-N
MW296.43 g/mol
LogP2.29
Rot. Bonds5

About 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80882929) has the molecular formula C11H16N6S2 and a molecular weight of 296.43 g/mol. Its IUPAC name is 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID80882929
Molecular FormulaC11H16N6S2
Molecular Weight296.43 g/mol
Exact Mass296.09
IUPAC Name5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1ncnc(Sc2nnc(N(C)C)s2)c1C
InChIInChI=1S/C11H16N6S2/c1-5-12-8-7(2)9(14-6-13-8)18-11-16-15-10(19-11)17(3)4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyVKJSCUQGMBPERK-UHFFFAOYSA-N
XLogP2.29
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
5-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931194
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
5-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80930893
N,N-dimethyl-5-[6-(methylamino)-5-nitropyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882840
N-ethyl-5-methyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-amine
CID 80887110
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
5-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931340
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
N-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885549

Frequently Asked Questions

What is the IUPAC name of 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 80882929) is 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CCNc1ncnc(Sc2nnc(N(C)C)s2)c1C.
What is the InChIKey of 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VKJSCUQGMBPERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S2/c1-5-12-8-7(2)9(14-6-13-8)18-11-16-15-10(19-11)17(3)4/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 296.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80882929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).