2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol

C5H10N2OS — CID 13404113

IUPAC2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol
SMILESCSC1=NCCC(O)N1
InChIInChI=1S/C5H10N2OS/c1-9-5-6-3-2-4(8)7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyLKBKEPRCDIKQMQ-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.02
Rot. Bonds

About 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol

2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol (PubChem CID 13404113) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol.

Molecular Properties

Compound Name2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol
PubChem CID13404113
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol
SMILESCSC1=NCCC(O)N1
InChIInChI=1S/C5H10N2OS/c1-9-5-6-3-2-4(8)7-5/h4,8H,2-3H2,1H3,(H,6,7)
InChIKeyLKBKEPRCDIKQMQ-UHFFFAOYSA-N
XLogP0.02
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol?
The IUPAC name of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol (CID 13404113) is 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol.
What is the SMILES notation for 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol?
The canonical SMILES for 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol is CSC1=NCCC(O)N1.
What is the InChIKey of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol?
The InChIKey is LKBKEPRCDIKQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-9-5-6-3-2-4(8)7-5/h4,8H,2-3H2,1H3,(H,6,7).
What are the key properties of 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol?
2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol has a molecular weight of 146.22 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1,4,5,6-tetrahydropyrimidin-6-ol is sourced from PubChem (CID 13404113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).