[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine

C17H16N4 — CID 23649130

IUPAC[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
SMILESCc1cccc(-c2cc(-c3ccccc3)nc(NN)n2)c1
InChIInChI=1S/C17H16N4/c1-12-6-5-9-14(10-12)16-11-15(19-17(20-16)21-18)13-7-3-2-4-8-13/h2-11H,18H2,1H3,(H,19,20,21)
InChIKeyKLGKURAEJPVZDV-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.40
Rot. Bonds3

About [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine

[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine (PubChem CID 23649130) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
PubChem CID23649130
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
SMILESCc1cccc(-c2cc(-c3ccccc3)nc(NN)n2)c1
InChIInChI=1S/C17H16N4/c1-12-6-5-9-14(10-12)16-11-15(19-17(20-16)21-18)13-7-3-2-4-8-13/h2-11H,18H2,1H3,(H,19,20,21)
InChIKeyKLGKURAEJPVZDV-UHFFFAOYSA-N
XLogP3.40
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.40
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

ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166
[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 23649159
2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 121315996
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
ethane;4-(3-methylphenyl)-2,6-diphenylpyridine
CID 144632055
2-(4-methylphenyl)-4,6-diphenylpyrimidine;2-(3-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 162112872
2,6-bis(3-methylphenyl)-4-[4-(3-phenylphenyl)phenyl]pyridine;2,6-bis(3-methylphenyl)-4-(4-phenylphenyl)pyridine;4-[4-(3,5-diphenylphenyl)phenyl]-2,6-bis(3-methylphenyl)pyridine
CID 157407374
cyclohepta[d]imidazol-2-ylhydrazine
CID 55279849
4-[3,5-bis(3-methylphenyl)phenyl]-2,6-diphenylpyridine;4-[3-(3-methylphenyl)-5-(4-methylphenyl)phenyl]-2,6-diphenylpyridine
CID 91503423
4-[3-(3,5-dimethylphenyl)phenyl]-2-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-6-phenylpyrimidine
CID 59552862
2-(4-methylphenyl)-4,6-diphenylpyrimidine;4-(4-methylphenyl)-2,6-diphenylpyrimidine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyridine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyridine;2-[3-(3-methylphenyl)phenyl]-4,6-diphenylpyrimidine;4-[3-(3-methylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 159145948
(6-methyl-2-phenylquinolin-4-yl)hydrazine
CID 62252637

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine (CID 23649130) is [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine is Cc1cccc(-c2cc(-c3ccccc3)nc(NN)n2)c1.
What is the InChIKey of [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
The InChIKey is KLGKURAEJPVZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-6-5-9-14(10-12)16-11-15(19-17(20-16)21-18)13-7-3-2-4-8-13/h2-11H,18H2,1H3,(H,19,20,21).
What are the key properties of [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine?
[4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine has a molecular weight of 276.34 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 23649130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).