2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide

C6H13BrN2OS — CID 131714394

IUPAC2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide
SMILESBr.CCSC1=NCC(O)CN1
InChIInChI=1S/C6H12N2OS.BrH/c1-2-10-6-7-3-5(9)4-8-6;/h5,9H,2-4H2,1H3,(H,7,8);1H
InChIKeyMAAYZFWJHUCSTP-UHFFFAOYSA-N
MW241.15 g/mol
LogP0.64
Rot. Bonds1

About 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide

2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide (PubChem CID 131714394) has the molecular formula C6H13BrN2OS and a molecular weight of 241.15 g/mol. Its IUPAC name is 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide.

Molecular Properties

Compound Name2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide
PubChem CID131714394
Molecular FormulaC6H13BrN2OS
Molecular Weight241.15 g/mol
Exact Mass239.99
IUPAC Name2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide
SMILESBr.CCSC1=NCC(O)CN1
InChIInChI=1S/C6H12N2OS.BrH/c1-2-10-6-7-3-5(9)4-8-6;/h5,9H,2-4H2,1H3,(H,7,8);1H
InChIKeyMAAYZFWJHUCSTP-UHFFFAOYSA-N
XLogP0.64
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide?
The IUPAC name of 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide (CID 131714394) is 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide.
What is the SMILES notation for 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide?
The canonical SMILES for 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide is Br.CCSC1=NCC(O)CN1.
What is the InChIKey of 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide?
The InChIKey is MAAYZFWJHUCSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS.BrH/c1-2-10-6-7-3-5(9)4-8-6;/h5,9H,2-4H2,1H3,(H,7,8);1H.
What are the key properties of 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide?
2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide has a molecular weight of 241.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol;hydrobromide is sourced from PubChem (CID 131714394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).