[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine

C13H16N4 — CID 105203580

IUPAC[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine
SMILESCc1cccc(C(NN)c2ncccn2)c1C
InChIInChI=1S/C13H16N4/c1-9-5-3-6-11(10(9)2)12(17-14)13-15-7-4-8-16-13/h3-8,12,17H,14H2,1-2H3
InChIKeyYJURRRYUKGFSFB-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.65
Rot. Bonds3

About [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine

[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine (PubChem CID 105203580) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine
PubChem CID105203580
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine
SMILESCc1cccc(C(NN)c2ncccn2)c1C
InChIInChI=1S/C13H16N4/c1-9-5-3-6-11(10(9)2)12(17-14)13-15-7-4-8-16-13/h3-8,12,17H,14H2,1-2H3
InChIKeyYJURRRYUKGFSFB-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.65
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

[(2,3-dimethylphenyl)-quinolin-7-ylmethyl]hydrazine
CID 105327482
[(2,3-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254306
[(2,3-dimethylphenyl)-(3-ethyl-4-pyridinyl)methyl]hydrazine
CID 105262086
1-(2,3-dimethylphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62548536
[(2-methoxy-5-methylphenyl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203659
[(2-bromo-3-fluorophenyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300521
[(2,5-dimethylfuran-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300529
[(2,3-dimethoxyphenyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105300594
[(2,3-dimethylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 106787343
[(2,3-dimethylphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289722
[(2,3-dimethylphenyl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291474
[(2,5-dibromothiophen-3-yl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 107970220

Frequently Asked Questions

What is the IUPAC name of [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine?
The IUPAC name of [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine (CID 105203580) is [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine.
What is the SMILES notation for [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine?
The canonical SMILES for [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine is Cc1cccc(C(NN)c2ncccn2)c1C.
What is the InChIKey of [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine?
The InChIKey is YJURRRYUKGFSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-5-3-6-11(10(9)2)12(17-14)13-15-7-4-8-16-13/h3-8,12,17H,14H2,1-2H3.
What are the key properties of [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine?
[(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine has a molecular weight of 228.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dimethylphenyl)-pyrimidin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105203580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).