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

C13H19N5S2 — CID 80895438

IUPACN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nc(CC)ns2)c1C(C)C
InChIInChI=1S/C13H19N5S2/c1-5-9-17-13(20-18-9)19-12-10(8(3)4)11(14-6-2)15-7-16-12/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyBAFPXOSCNHRZCR-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.60
Rot. Bonds6

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

N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80895438) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80895438
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC NameN-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Sc2nc(CC)ns2)c1C(C)C
InChIInChI=1S/C13H19N5S2/c1-5-9-17-13(20-18-9)19-12-10(8(3)4)11(14-6-2)15-7-16-12/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyBAFPXOSCNHRZCR-UHFFFAOYSA-N
XLogP3.60
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-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

N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
5-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80895253
5-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methylpyrimidin-4-amine
CID 114073926
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
6-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
N-ethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 80891828
6-(3-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80889045
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
N-methyl-5-propan-2-yl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80894891
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 114793065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine (CID 80895438) is N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Sc2nc(CC)ns2)c1C(C)C.
What is the InChIKey of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is BAFPXOSCNHRZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-5-9-17-13(20-18-9)19-12-10(8(3)4)11(14-6-2)15-7-16-12/h7-8H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80895438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).