4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine

C8H13N3S — CID 123349566

IUPAC4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine
SMILESCCSc1nc(N)nc(C)c1C
InChIInChI=1S/C8H13N3S/c1-4-12-7-5(2)6(3)10-8(9)11-7/h4H2,1-3H3,(H2,9,10,11)
InChIKeyYYKFPIGMMXQSDF-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.79
Rot. Bonds2

About 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine

4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine (PubChem CID 123349566) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine
PubChem CID123349566
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine
SMILESCCSc1nc(N)nc(C)c1C
InChIInChI=1S/C8H13N3S/c1-4-12-7-5(2)6(3)10-8(9)11-7/h4H2,1-3H3,(H2,9,10,11)
InChIKeyYYKFPIGMMXQSDF-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine (CID 123349566) is 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine is CCSc1nc(N)nc(C)c1C.
What is the InChIKey of 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine?
The InChIKey is YYKFPIGMMXQSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-4-12-7-5(2)6(3)10-8(9)11-7/h4H2,1-3H3,(H2,9,10,11).
What are the key properties of 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine?
4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine has a molecular weight of 183.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-5,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 123349566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).