[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine

C13H16N4 — CID 102924271

IUPAC[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCCc1cccc(C(NN)c2cncnc2)c1
InChIInChI=1S/C13H16N4/c1-2-10-4-3-5-11(6-10)13(17-14)12-7-15-9-16-8-12/h3-9,13,17H,2,14H2,1H3
InChIKeyLCLORVGVJVQVLB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.59
Rot. Bonds4

About [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine

[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine (PubChem CID 102924271) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine
PubChem CID102924271
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine
SMILESCCc1cccc(C(NN)c2cncnc2)c1
InChIInChI=1S/C13H16N4/c1-2-10-4-3-5-11(6-10)13(17-14)12-7-15-9-16-8-12/h3-9,13,17H,2,14H2,1H3
InChIKeyLCLORVGVJVQVLB-UHFFFAOYSA-N
XLogP1.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
CID 105254632
[(3-ethylphenyl)-(3-iodophenyl)methyl]hydrazine
CID 105326224
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218
3-[(3-ethylphenyl)-hydrazinylmethyl]-N,N-dimethylaniline
CID 105326250
[(3-ethylphenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190750
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
[(3-ethylphenyl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105326216
[(5-fluoro-3-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 105340596
[(3-ethylphenyl)-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105326300
1-(3-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105171226
[(2,5-difluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105219304
[(2,5-dibromophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105326320

Frequently Asked Questions

What is the IUPAC name of [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine?
The IUPAC name of [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine (CID 102924271) is [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine?
The canonical SMILES for [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine is CCc1cccc(C(NN)c2cncnc2)c1.
What is the InChIKey of [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine?
The InChIKey is LCLORVGVJVQVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-10-4-3-5-11(6-10)13(17-14)12-7-15-9-16-8-12/h3-9,13,17H,2,14H2,1H3.
What are the key properties of [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine?
[(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine has a molecular weight of 228.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylphenyl)-pyrimidin-5-ylmethyl]hydrazine is sourced from PubChem (CID 102924271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).