2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide

C8H13N5OS — CID 3024454

IUPAC2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide
SMILESCN(C)c1cc(SCC(=O)NN)ncn1
InChIInChI=1S/C8H13N5OS/c1-13(2)6-3-8(11-5-10-6)15-4-7(14)12-9/h3,5H,4,9H2,1-2H3,(H,12,14)
InChIKeyIDQHYABTIQMMSD-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.38
Rot. Bonds4

About 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide

2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide (PubChem CID 3024454) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide.

Molecular Properties

Compound Name2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide
PubChem CID3024454
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide
SMILESCN(C)c1cc(SCC(=O)NN)ncn1
InChIInChI=1S/C8H13N5OS/c1-13(2)6-3-8(11-5-10-6)15-4-7(14)12-9/h3,5H,4,9H2,1-2H3,(H,12,14)
InChIKeyIDQHYABTIQMMSD-UHFFFAOYSA-N
XLogP-0.38
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide?
The IUPAC name of 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide (CID 3024454) is 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide.
What is the SMILES notation for 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide?
The canonical SMILES for 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide is CN(C)c1cc(SCC(=O)NN)ncn1.
What is the InChIKey of 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide?
The InChIKey is IDQHYABTIQMMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-13(2)6-3-8(11-5-10-6)15-4-7(14)12-9/h3,5H,4,9H2,1-2H3,(H,12,14).
What are the key properties of 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide?
2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide has a molecular weight of 227.29 g/mol, XLogP of -0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)pyrimidin-4-yl]sulfanylacetohydrazide is sourced from PubChem (CID 3024454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).