(2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine

C15H18N4 — CID 15322858

IUPAC(2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine
SMILESC=CCc1c(C)nc(Cc2ccccc2)nc1NN
InChIInChI=1S/C15H18N4/c1-3-7-13-11(2)17-14(18-15(13)19-16)10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10,16H2,2H3,(H,17,18,19)
InChIKeyJAZLWJADKHJXMT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.39
Rot. Bonds5

About (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine

(2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine (PubChem CID 15322858) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine.

Molecular Properties

Compound Name(2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine
PubChem CID15322858
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name(2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine
SMILESC=CCc1c(C)nc(Cc2ccccc2)nc1NN
InChIInChI=1S/C15H18N4/c1-3-7-13-11(2)17-14(18-15(13)19-16)10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10,16H2,2H3,(H,17,18,19)
InChIKeyJAZLWJADKHJXMT-UHFFFAOYSA-N
XLogP2.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine?
The IUPAC name of (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine (CID 15322858) is (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine.
What is the SMILES notation for (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine?
The canonical SMILES for (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine is C=CCc1c(C)nc(Cc2ccccc2)nc1NN.
What is the InChIKey of (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine?
The InChIKey is JAZLWJADKHJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-7-13-11(2)17-14(18-15(13)19-16)10-12-8-5-4-6-9-12/h3-6,8-9H,1,7,10,16H2,2H3,(H,17,18,19).
What are the key properties of (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine?
(2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine has a molecular weight of 254.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6-methyl-5-prop-2-enylpyrimidin-4-yl)hydrazine is sourced from PubChem (CID 15322858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).