(2-phenyl-6-propylpyrimidin-4-yl)hydrazine

C13H16N4 — CID 62252370

IUPAC(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
SMILESCCCc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-2-6-11-9-12(17-14)16-13(15-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6,14H2,1H3,(H,15,16,17)
InChIKeyIBQCYQSSEFSMOO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.38
Rot. Bonds4

About (2-phenyl-6-propylpyrimidin-4-yl)hydrazine

(2-phenyl-6-propylpyrimidin-4-yl)hydrazine (PubChem CID 62252370) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is (2-phenyl-6-propylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
PubChem CID62252370
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name(2-phenyl-6-propylpyrimidin-4-yl)hydrazine
SMILESCCCc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4/c1-2-6-11-9-12(17-14)16-13(15-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6,14H2,1H3,(H,15,16,17)
InChIKeyIBQCYQSSEFSMOO-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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 (2-phenyl-6-propylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-phenyl-6-propylpyrimidin-4-yl)hydrazine (CID 62252370) is (2-phenyl-6-propylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-phenyl-6-propylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-phenyl-6-propylpyrimidin-4-yl)hydrazine is CCCc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-6-propylpyrimidin-4-yl)hydrazine?
The InChIKey is IBQCYQSSEFSMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-6-11-9-12(17-14)16-13(15-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6,14H2,1H3,(H,15,16,17).
What are the key properties of (2-phenyl-6-propylpyrimidin-4-yl)hydrazine?
(2-phenyl-6-propylpyrimidin-4-yl)hydrazine has a molecular weight of 228.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-6-propylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 62252370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).