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

C13H19N5S2 — CID 80994486

IUPACN-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(Sc2nc(C)ns2)n1
InChIInChI=1S/C13H19N5S2/c1-5-7-10-16-11(14-6-2)8(3)12(17-10)19-13-15-9(4)18-20-13/h5-7H2,1-4H3,(H,14,16,17)
InChIKeyBGFYQPMVUQFBDE-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.48
Rot. Bonds6

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

N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine (PubChem CID 80994486) has the molecular formula C13H19N5S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
PubChem CID80994486
Molecular FormulaC13H19N5S2
Molecular Weight309.46 g/mol
Exact Mass309.11
IUPAC NameN-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NCC)c(C)c(Sc2nc(C)ns2)n1
InChIInChI=1S/C13H19N5S2/c1-5-7-10-16-11(14-6-2)8(3)12(17-10)19-13-15-9(4)18-20-13/h5-7H2,1-4H3,(H,14,16,17)
InChIKeyBGFYQPMVUQFBDE-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methyl-2-propylpyrimidin-4-amine
CID 80995179
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894880
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-5-methyl-2-propylpyrimidin-4-amine
CID 106928644
N-ethyl-5-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 104604999
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
N-ethyl-2,5-dimethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80895358
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894498
N-ethyl-2-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894982
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335287
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine (CID 80994486) is N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine is CCCc1nc(NCC)c(C)c(Sc2nc(C)ns2)n1.
What is the InChIKey of N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine?
The InChIKey is BGFYQPMVUQFBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S2/c1-5-7-10-16-11(14-6-2)8(3)12(17-10)19-13-15-9(4)18-20-13/h5-7H2,1-4H3,(H,14,16,17).
What are the key properties of N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine?
N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80994486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).