5-ethyl-6-ethylsulfanylpyrimidin-4-amine

C8H13N3S — CID 80887544

IUPAC5-ethyl-6-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1ncnc(N)c1CC
InChIInChI=1S/C8H13N3S/c1-3-6-7(9)10-5-11-8(6)12-4-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyXEHLETOPRUVSLB-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.73
Rot. Bonds3

About 5-ethyl-6-ethylsulfanylpyrimidin-4-amine

5-ethyl-6-ethylsulfanylpyrimidin-4-amine (PubChem CID 80887544) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-ethyl-6-ethylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-ethylsulfanylpyrimidin-4-amine
PubChem CID80887544
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-ethyl-6-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1ncnc(N)c1CC
InChIInChI=1S/C8H13N3S/c1-3-6-7(9)10-5-11-8(6)12-4-2/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyXEHLETOPRUVSLB-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
CID 3613640
4-methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 373189
4-(3,3-Difluoropropylsulfanyl)-5,6-dimethylpyrimidine
CID 91558844
5-Acetyl-6-amino-4-methylsulfanylpyrimidine
CID 129879766
5,6-Dihydrothieno[2,3-d]pyrimidine-2,4-diamine
CID 83816059
2-methyl-4H-pyrimido[5,4-e][1,3]thiazin-5-amine
CID 20745814
5-Methyl-4,6-bis(methylsulfanyl)pyrimidine
CID 23403399
N,5-dimethyl-6-methylsulfanylpyrimidin-4-amine
CID 57708294
4-Chloro-5-isopropyl-6-(methylthio)pyrimidine
CID 63732076
5-Methanimidoyl-6-methylsulfanylpyrimidin-4-amine
CID 88886923
4-Ethylsulfanyl-5,6-dimethylpyrimidin-2-amine
CID 123349566
5-Ethyl-4-methylsulfanylpyrimidine
CID 129266399

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-ethylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-ethylsulfanylpyrimidin-4-amine (CID 80887544) is 5-ethyl-6-ethylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-ethylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-ethylsulfanylpyrimidin-4-amine is CCSc1ncnc(N)c1CC.
What is the InChIKey of 5-ethyl-6-ethylsulfanylpyrimidin-4-amine?
The InChIKey is XEHLETOPRUVSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-6-7(9)10-5-11-8(6)12-4-2/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of 5-ethyl-6-ethylsulfanylpyrimidin-4-amine?
5-ethyl-6-ethylsulfanylpyrimidin-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-ethylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80887544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).