2-ethylsulfanylpyrimidin-4-amine

C6H9N3S — CID 565730

IUPAC2-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1nccc(N)n1
InChIInChI=1S/C6H9N3S/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyXXVJBOUBVBZMNM-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.17
Rot. Bonds2

About 2-ethylsulfanylpyrimidin-4-amine

2-ethylsulfanylpyrimidin-4-amine (PubChem CID 565730) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 2-ethylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethylsulfanylpyrimidin-4-amine
PubChem CID565730
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name2-ethylsulfanylpyrimidin-4-amine
SMILESCCSc1nccc(N)n1
InChIInChI=1S/C6H9N3S/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3,(H2,7,8,9)
InChIKeyXXVJBOUBVBZMNM-UHFFFAOYSA-N
XLogP1.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Diaminopyrimidine
CID 67431
2-Methylpyrimidin-4-amine
CID 295763
2-O-Methylcytosine
CID 160679
4-Aminopyrimidine
CID 68958
6-(Methylsulfanyl)pyrimidin-4-amine
CID 238575
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
2-Fluoropyrimidin-4-amine
CID 339392
2-Chloro-4-aminopyrimidine
CID 345752
2-(Methylthio)pyrimidin-4-amine
CID 259225
N-methylpyrimidin-4-amine
CID 519971
2-(Methylsulfanyl)pyrimidine
CID 522772
N,N-Dimethylpyrimidin-4-amine
CID 579196

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-ethylsulfanylpyrimidin-4-amine (CID 565730) is 2-ethylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-ethylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-ethylsulfanylpyrimidin-4-amine is CCSc1nccc(N)n1.
What is the InChIKey of 2-ethylsulfanylpyrimidin-4-amine?
The InChIKey is XXVJBOUBVBZMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-10-6-8-4-3-5(7)9-6/h3-4H,2H2,1H3,(H2,7,8,9).
What are the key properties of 2-ethylsulfanylpyrimidin-4-amine?
2-ethylsulfanylpyrimidin-4-amine has a molecular weight of 155.23 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 565730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).