2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide

C13H21N5OS — CID 110277663

IUPAC2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide
SMILESCC1CC(C)CN(c2cc(SCC(=O)NN)ncn2)C1
InChIInChI=1S/C13H21N5OS/c1-9-3-10(2)6-18(5-9)11-4-13(16-8-15-11)20-7-12(19)17-14/h4,8-10H,3,5-7,14H2,1-2H3,(H,17,19)
InChIKeyKPFVSKVUXUXHQE-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.04
Rot. Bonds4

About 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide

2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide (PubChem CID 110277663) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide.

Molecular Properties

Compound Name2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide
PubChem CID110277663
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide
SMILESCC1CC(C)CN(c2cc(SCC(=O)NN)ncn2)C1
InChIInChI=1S/C13H21N5OS/c1-9-3-10(2)6-18(5-9)11-4-13(16-8-15-11)20-7-12(19)17-14/h4,8-10H,3,5-7,14H2,1-2H3,(H,17,19)
InChIKeyKPFVSKVUXUXHQE-UHFFFAOYSA-N
XLogP1.04
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.04
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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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093252
N-(3-bromophenyl)-2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136669
N-(3,4-dimethoxyphenyl)-2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093249
2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanyl-N-(3-ethylphenyl)acetamide
CID 95093231
2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 95093302
N-(3-chloro-4-methoxyphenyl)-2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136680
N-benzyl-2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanyl-N-ethylacetamide
CID 110278136
N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899128
N-(2,5-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093193
N-(4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136600
N-(2-chloro-4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899153
N-(3-methylphenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53012098

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide?
The IUPAC name of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide (CID 110277663) is 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide.
What is the SMILES notation for 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide?
The canonical SMILES for 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide is CC1CC(C)CN(c2cc(SCC(=O)NN)ncn2)C1.
What is the InChIKey of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide?
The InChIKey is KPFVSKVUXUXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-9-3-10(2)6-18(5-9)11-4-13(16-8-15-11)20-7-12(19)17-14/h4,8-10H,3,5-7,14H2,1-2H3,(H,17,19).
What are the key properties of 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide?
2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide has a molecular weight of 295.41 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetohydrazide is sourced from PubChem (CID 110277663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).