6-ethylsulfanyl-5-propylpyrimidin-4-amine

C9H15N3S — CID 80887417

IUPAC6-ethylsulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1SCC
InChIInChI=1S/C9H15N3S/c1-3-5-7-8(10)11-6-12-9(7)13-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyWKIPALQGSKLBGG-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.12
Rot. Bonds4

About 6-ethylsulfanyl-5-propylpyrimidin-4-amine

6-ethylsulfanyl-5-propylpyrimidin-4-amine (PubChem CID 80887417) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 6-ethylsulfanyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-5-propylpyrimidin-4-amine
PubChem CID80887417
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name6-ethylsulfanyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1SCC
InChIInChI=1S/C9H15N3S/c1-3-5-7-8(10)11-6-12-9(7)13-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12)
InChIKeyWKIPALQGSKLBGG-UHFFFAOYSA-N
XLogP2.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-ethylsulfanyl-5-propylpyrimidin-4-amine (CID 80887417) is 6-ethylsulfanyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-ethylsulfanyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-ethylsulfanyl-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1SCC.
What is the InChIKey of 6-ethylsulfanyl-5-propylpyrimidin-4-amine?
The InChIKey is WKIPALQGSKLBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-5-7-8(10)11-6-12-9(7)13-4-2/h6H,3-5H2,1-2H3,(H2,10,11,12).
What are the key properties of 6-ethylsulfanyl-5-propylpyrimidin-4-amine?
6-ethylsulfanyl-5-propylpyrimidin-4-amine has a molecular weight of 197.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80887417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).