2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide

C6H11N3OS — CID 3569725

IUPAC2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide
SMILESNC(=O)CSC1=NCCCN1
InChIInChI=1S/C6H11N3OS/c7-5(10)4-11-6-8-2-1-3-9-6/h1-4H2,(H2,7,10)(H,8,9)
InChIKeyVPACJEDRIIAWOX-UHFFFAOYSA-N
MW173.24 g/mol
LogP-0.45
Rot. Bonds2

About 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide

2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide (PubChem CID 3569725) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide
PubChem CID3569725
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide
SMILESNC(=O)CSC1=NCCCN1
InChIInChI=1S/C6H11N3OS/c7-5(10)4-11-6-8-2-1-3-9-6/h1-4H2,(H2,7,10)(H,8,9)
InChIKeyVPACJEDRIIAWOX-UHFFFAOYSA-N
XLogP-0.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide?
The IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide (CID 3569725) is 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide.
What is the SMILES notation for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide?
The canonical SMILES for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide is NC(=O)CSC1=NCCCN1.
What is the InChIKey of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide?
The InChIKey is VPACJEDRIIAWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c7-5(10)4-11-6-8-2-1-3-9-6/h1-4H2,(H2,7,10)(H,8,9).
What are the key properties of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide?
2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide has a molecular weight of 173.24 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)acetamide is sourced from PubChem (CID 3569725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).