2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

C8H12N4OS — CID 668161

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NN)n1
InChIInChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13)
InChIKeyRLCZMVPGNOZVLO-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.18
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide

2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide (PubChem CID 668161) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
PubChem CID668161
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide
SMILESCc1cc(C)nc(SCC(=O)NN)n1
InChIInChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13)
InChIKeyRLCZMVPGNOZVLO-UHFFFAOYSA-N
XLogP0.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
N-(Cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
CID 696369
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 899467
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 2976289
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167546
2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 12771908
N-[3-(diethylamino)propyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2496710

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide (CID 668161) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide is Cc1cc(C)nc(SCC(=O)NN)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
The InChIKey is RLCZMVPGNOZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-5-3-6(2)11-8(10-5)14-4-7(13)12-9/h3H,4,9H2,1-2H3,(H,12,13).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide has a molecular weight of 212.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetohydrazide is sourced from PubChem (CID 668161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).