N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide

C11H16N4O3S — CID 135442437

IUPACN'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide
SMILESCCc1c(C)nc(SCC(=O)NNC(C)=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3S/c1-4-8-6(2)12-11(13-10(8)18)19-5-9(17)15-14-7(3)16/h4-5H2,1-3H3,(H,14,16)(H,15,17)(H,12,13,18)
InChIKeyPHFPSHRMVHSTLB-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.10
Rot. Bonds4

About N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide

N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide (PubChem CID 135442437) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide
PubChem CID135442437
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide
SMILESCCc1c(C)nc(SCC(=O)NNC(C)=O)[nH]c1=O
InChIInChI=1S/C11H16N4O3S/c1-4-8-6(2)12-11(13-10(8)18)19-5-9(17)15-14-7(3)16/h4-5H2,1-3H3,(H,14,16)(H,15,17)(H,12,13,18)
InChIKeyPHFPSHRMVHSTLB-UHFFFAOYSA-N
XLogP-0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide?
The IUPAC name of N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide (CID 135442437) is N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide is CCc1c(C)nc(SCC(=O)NNC(C)=O)[nH]c1=O.
What is the InChIKey of N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide?
The InChIKey is PHFPSHRMVHSTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-4-8-6(2)12-11(13-10(8)18)19-5-9(17)15-14-7(3)16/h4-5H2,1-3H3,(H,14,16)(H,15,17)(H,12,13,18).
What are the key properties of N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide?
N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide has a molecular weight of 284.34 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 135442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).