[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

C12H11F3N4 — CID 91926616

IUPAC[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H11F3N4/c1-7-4-2-3-5-8(7)9-6-10(12(13,14)15)18-11(17-9)19-16/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyLGOBDORRQVEDSR-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.76
Rot. Bonds2

About [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine

[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 91926616) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID91926616
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESCc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H11F3N4/c1-7-4-2-3-5-8(7)9-6-10(12(13,14)15)18-11(17-9)19-16/h2-6H,16H2,1H3,(H,17,18,19)
InChIKeyLGOBDORRQVEDSR-UHFFFAOYSA-N
XLogP2.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 91926616) is [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is Cc1ccccc1-c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is LGOBDORRQVEDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-4-2-3-5-8(7)9-6-10(12(13,14)15)18-11(17-9)19-16/h2-6H,16H2,1H3,(H,17,18,19).
What are the key properties of [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 268.24 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 91926616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).