[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine

C14H16N4O2 — CID 63560457

IUPAC[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(-c2ccc3c(c2)OCO3)nc(NN)c1C
InChIInChI=1S/C14H16N4O2/c1-3-10-8(2)13(18-15)17-14(16-10)9-4-5-11-12(6-9)20-7-19-11/h4-6H,3,7,15H2,1-2H3,(H,16,17,18)
InChIKeyUPHUEEJSUMABTO-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.03
Rot. Bonds3

About [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine

[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 63560457) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID63560457
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCCc1nc(-c2ccc3c(c2)OCO3)nc(NN)c1C
InChIInChI=1S/C14H16N4O2/c1-3-10-8(2)13(18-15)17-14(16-10)9-4-5-11-12(6-9)20-7-19-11/h4-6H,3,7,15H2,1-2H3,(H,16,17,18)
InChIKeyUPHUEEJSUMABTO-UHFFFAOYSA-N
XLogP2.03
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560844
[6-ethyl-2-(3-fluoro-4-methylphenyl)-5-methylpyrimidin-4-yl]hydrazine
CID 63562540
[2-(4-cyclopropylphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 79980375
[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63561231
[2-(3-chloro-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 65022452
[2-(1,3-benzodioxol-5-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83191661
[6-ethyl-2-(2-ethylphenyl)-5-methylpyrimidin-4-yl]hydrazine
CID 55221887
2-(1,3-benzodioxol-5-yl)-4-chloro-6-methylpyrimidine
CID 43557789
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
CID 62203655
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
[2-(2,4-dimethoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63560270
1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 83281006

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine (CID 63560457) is [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine is CCc1nc(-c2ccc3c(c2)OCO3)nc(NN)c1C.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is UPHUEEJSUMABTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-10-8(2)13(18-15)17-14(16-10)9-4-5-11-12(6-9)20-7-19-11/h4-6H,3,7,15H2,1-2H3,(H,16,17,18).
What are the key properties of [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine?
[2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 272.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63560457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).