5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine

C12H17N5S2 — CID 80885817

IUPAC5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nnc(C)s2)c1CC
InChIInChI=1S/C12H17N5S2/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-17-16-8(3)18-12/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyOWRUQFKGURRIJC-UHFFFAOYSA-N
MW295.44 g/mol
LogP3.17
Rot. Bonds6

About 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine

5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (PubChem CID 80885817) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
PubChem CID80885817
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Sc2nnc(C)s2)c1CC
InChIInChI=1S/C12H17N5S2/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-17-16-8(3)18-12/h7H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyOWRUQFKGURRIJC-UHFFFAOYSA-N
XLogP3.17
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253
5-ethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80892174
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
5-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 104604989
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
5-ethyl-6-pentylsulfanyl-N-propylpyrimidin-4-amine
CID 107765373
6-(3-chlorophenyl)sulfanyl-5-ethyl-N-propylpyrimidin-4-amine
CID 80891845
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitropyrimidin-4-amine
CID 112726508
5-ethyl-6-(2-methyloxolan-3-yl)sulfanyl-N-propylpyrimidin-4-amine
CID 107765164

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine (CID 80885817) is 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is CCCNc1ncnc(Sc2nnc(C)s2)c1CC.
What is the InChIKey of 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
The InChIKey is OWRUQFKGURRIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-4-6-13-10-9(5-2)11(15-7-14-10)19-12-17-16-8(3)18-12/h7H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine?
5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine has a molecular weight of 295.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80885817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).