[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine

C12H14N4 — CID 95915885

IUPAC[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(-c2ccnc(NN)n2)cc1C
InChIInChI=1S/C12H14N4/c1-8-3-4-10(7-9(8)2)11-5-6-14-12(15-11)16-13/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyGAYFGQAVRLYCQF-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.05
Rot. Bonds2

About [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine

[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine (PubChem CID 95915885) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
PubChem CID95915885
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine
SMILESCc1ccc(-c2ccnc(NN)n2)cc1C
InChIInChI=1S/C12H14N4/c1-8-3-4-10(7-9(8)2)11-5-6-14-12(15-11)16-13/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyGAYFGQAVRLYCQF-UHFFFAOYSA-N
XLogP2.05
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.05
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-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine (CID 95915885) is [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine is Cc1ccc(-c2ccnc(NN)n2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine?
The InChIKey is GAYFGQAVRLYCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-8-3-4-10(7-9(8)2)11-5-6-14-12(15-11)16-13/h3-7H,13H2,1-2H3,(H,14,15,16).
What are the key properties of [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine?
[4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine has a molecular weight of 214.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 95915885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).