2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol

C8H16N2OS — CID 164647906

IUPAC2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCCC(C)SC1=NCC(O)CN1
InChIInChI=1S/C8H16N2OS/c1-3-6(2)12-8-9-4-7(11)5-10-8/h6-7,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyBDRKFQODEPMBNN-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.84
Rot. Bonds2

About 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol

2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 164647906) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID164647906
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESCCC(C)SC1=NCC(O)CN1
InChIInChI=1S/C8H16N2OS/c1-3-6(2)12-8-9-4-7(11)5-10-8/h6-7,11H,3-5H2,1-2H3,(H,9,10)
InChIKeyBDRKFQODEPMBNN-UHFFFAOYSA-N
XLogP0.84
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol (CID 164647906) is 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol is CCC(C)SC1=NCC(O)CN1.
What is the InChIKey of 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is BDRKFQODEPMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-3-6(2)12-8-9-4-7(11)5-10-8/h6-7,11H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol?
2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 188.30 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 164647906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).