N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide

C16H20N4O2 — CID 30131742

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCCOc2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-12-11-13(2)18-16(17-12)20-19-15(21)9-6-10-22-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyRIYGEURYLKHWMD-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.40
Rot. Bonds7

About N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide (PubChem CID 30131742) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide
PubChem CID30131742
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide
SMILESCc1cc(C)nc(NNC(=O)CCCOc2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-12-11-13(2)18-16(17-12)20-19-15(21)9-6-10-22-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,21)(H,17,18,20)
InChIKeyRIYGEURYLKHWMD-UHFFFAOYSA-N
XLogP2.40
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-1-yloxybutanehydrazide
CID 46472167
N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide
CID 26122198
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-methylphenoxy)butanamide
CID 108768505
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(4-ethylphenoxy)butanamide
CID 108768513
4-(3-fluorophenoxy)-N'-(4-methoxypyrimidin-2-yl)butanehydrazide
CID 60549753
N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
CID 55350766
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 61092948
(4-phenoxybutanoylamino) acetate
CID 175438575
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
2-(2-phenoxyethoxy)-N'-pyrimidin-2-ylacetohydrazide
CID 87015407

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide (CID 30131742) is N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide is Cc1cc(C)nc(NNC(=O)CCCOc2ccccc2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide?
The InChIKey is RIYGEURYLKHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12-11-13(2)18-16(17-12)20-19-15(21)9-6-10-22-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide has a molecular weight of 300.36 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide is sourced from PubChem (CID 30131742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).