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

C13H17N5S2 — CID 80994586

IUPAC2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nsc(Sc2nc(C3CC3)nc(NC)c2C)n1
InChIInChI=1S/C13H17N5S2/c1-4-9-15-13(20-18-9)19-12-7(2)10(14-3)16-11(17-12)8-5-6-8/h8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyWWFOTJDAIBQARS-UHFFFAOYSA-N
MW307.45 g/mol
LogP3.27
Rot. Bonds5

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

2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 80994586) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
PubChem CID80994586
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Name2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nsc(Sc2nc(C3CC3)nc(NC)c2C)n1
InChIInChI=1S/C13H17N5S2/c1-4-9-15-13(20-18-9)19-12-7(2)10(14-3)16-11(17-12)8-5-6-8/h8H,4-6H2,1-3H3,(H,14,16,17)
InChIKeyWWFOTJDAIBQARS-UHFFFAOYSA-N
XLogP3.27
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)sulfanyl-3-ethyl-1,2,4-thiadiazole
CID 80975528
5-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80990298
2-cyclopropyl-6-(4-fluorophenyl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80989965
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
2-cyclopropyl-N,5-dimethyl-6-(2-methyloxolan-3-yl)sulfanylpyrimidin-4-amine
CID 107765069
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253
(2-cyclopropyl-5-methyl-6-phenylsulfanylpyrimidin-4-yl)hydrazine
CID 81000447
2-cyclopropyl-N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80995867
2-ethyl-N,5-dimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80995265

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine (CID 80994586) is 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine is CCc1nsc(Sc2nc(C3CC3)nc(NC)c2C)n1.
What is the InChIKey of 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is WWFOTJDAIBQARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-4-9-15-13(20-18-9)19-12-7(2)10(14-3)16-11(17-12)8-5-6-8/h8H,4-6H2,1-3H3,(H,14,16,17).
What are the key properties of 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine?
2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 307.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80994586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).